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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-benzyl-4-piperidyl)-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-(1-benzyl-4-piperidyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 6.98 -40.13 2 5 1 46 360.522 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-benzyl-4-piperidyl)-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-(1-benzyl-4-piperidyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 6.78 -39.95 2 5 1 46 360.522 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-benzyl-4-piperidyl)-N-(2-methoxyethyl)-N-methyl-piperidine-3-carboxamide (3R)-1-(1-benzyl-4-piperidyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 9.62 -42.02 1 5 1 37 374.549 7 ↓
Mid Mid (pH 6-8) 2.27 9.56 -39.34 1 5 1 37 374.549 7 ↓
Lo Low (pH 4.5-6) 2.27 11.81 -108.54 2 5 2 38 375.557 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-benzyl-4-piperidyl)-N-(2-methoxyethyl)-N-methyl-piperidine-3-carboxamide (3S)-1-(1-benzyl-4-piperidyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 9.09 -41.45 1 5 1 37 374.549 7 ↓
Mid Mid (pH 6-8) 2.27 9.23 -39.44 1 5 1 37 374.549 7 ↓
Lo Low (pH 4.5-6) 2.27 11.48 -108.56 2 5 2 38 375.557 7 ↓

Analogs

34478270
34478270
34853777
34853777
55042090
55042090

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(2,4-difluorophenyl)methyl]-4-piperidyl]-N-isopropyl-piperidine-4-carboxamide 1-[1-[(2,4-difluorophenyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 1.8 -118.53 3 4 2 38 381.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-4-[[4-(1-piperidyl)-1-piperidyl]methyl]aniline 2-fluoro-4-[[4-(1-piperidyl)-1-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 6.84 -33.06 3 3 1 34 292.422 3 ↓
Lo Low (pH 4.5-6) 2.64 9.1 -104.29 4 3 2 35 293.43 3 ↓

Analogs

11843738
11843738

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(2,4-difluorophenyl)methyl]-4-piperidyl]-N-isopropyl-piperidine-4-carboxamide 1-[1-[(2,4-difluorophenyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 8.52 -47.92 2 4 1 37 380.503 5 ↓
Hi High (pH 8-9.5) 2.97 6.27 -9.83 1 4 0 36 379.495 5 ↓
Hi High (pH 8-9.5) 2.97 8.65 -43.31 2 4 1 37 380.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-1-[1-[(4-methoxy-3-methyl-phenyl)methyl]-4-piperidyl]piperidine-4-carboxamide N-isopropyl-1-[1-[(4-methoxy-3-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 8.77 -46.73 2 5 1 46 388.576 6 ↓
Lo Low (pH 4.5-6) 3.15 8.75 -45.02 2 5 1 46 388.576 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(4-ethoxyphenyl)methyl]-4-piperidyl]-N-isopropyl-piperidine-4-carboxamide 1-[1-[(4-ethoxyphenyl)methyl]-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 8.96 -46.68 2 5 1 46 388.576 7 ↓
Lo Low (pH 4.5-6) 3.15 8.93 -44.75 2 5 1 46 388.576 7 ↓

Analogs

39763854
39763854

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Popular Name: N-[(2R)-2-methylbutyl]-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-[(2R)-2-methylbutyl]-1-[1-(o-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 10.78 -43.15 2 4 1 37 386.604 7 ↓
Lo Low (pH 4.5-6) 4.07 11.06 -43.8 2 4 1 37 386.604 7 ↓

Analogs

39762142
39762142
39763854
39763854

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methylbutyl]-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-[(2S)-2-methylbutyl]-1-[1-(o-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 10.74 -43.42 2 4 1 37 386.604 7 ↓
Lo Low (pH 4.5-6) 4.07 10.78 -43.86 2 4 1 37 386.604 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-piperidyl]-N-isopropyl-piperidine-4-carboxamide 1-[1-[[4-(4-hydroxybut-1-ynyl)ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 8.15 -51.91 3 5 1 57 412.598 6 ↓
Lo Low (pH 4.5-6) 2.55 8.26 -46.71 3 5 1 57 412.598 6 ↓

Analogs

12201534
12201534

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropoxyethyl)-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-(2-isopropoxyethyl)-1-[1-(o-to…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 9.39 -43.91 2 5 1 46 402.603 8 ↓
Lo Low (pH 4.5-6) 3.16 9.41 -43.79 2 5 1 46 402.603 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(o-tolylmethyl)-4-piperidyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide 1-[1-(o-tolylmethyl)-4-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 9.04 -42.39 2 4 1 37 398.493 6 ↓
Lo Low (pH 4.5-6) 3.37 9.07 -43.92 2 4 1 37 398.493 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-hydroxybutyl]-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-[(2S)-2-hydroxybutyl]-1-[1-(o-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 6.84 -43.31 3 5 1 57 388.576 7 ↓
Lo Low (pH 4.5-6) 2.67 6.87 -43.31 3 5 1 57 388.576 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-hydroxybutyl]-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-[(2R)-2-hydroxybutyl]-1-[1-(o-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 6.72 -44.07 3 5 1 57 388.576 7 ↓
Lo Low (pH 4.5-6) 2.67 6.93 -42.76 3 5 1 57 388.576 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(hydroxymethyl)-2-methyl-propyl]-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-[(1R)-1-(hydroxymethyl)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 7.34 -42.32 3 5 1 57 402.603 7 ↓
Lo Low (pH 4.5-6) 2.92 7.59 -42.26 3 5 1 57 402.603 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-[(1S)-1-(hydroxymethyl)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 7.14 -43.45 3 5 1 57 402.603 7 ↓
Lo Low (pH 4.5-6) 2.92 7.59 -41.85 3 5 1 57 402.603 7 ↓

Analogs

12583468
12583468

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Popular Name: 1-[1-[(4-hydroxyphenyl)methyl]-4-piperidyl]-N-isopropyl-piperidine-4-carboxamide 1-[1-[(4-hydroxyphenyl)methyl]-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 5.71 -48.67 3 5 1 57 360.522 5 ↓
Lo Low (pH 4.5-6) 2.23 5.84 -45.5 3 5 1 57 360.522 5 ↓

Analogs

12592338
12592338

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Popular Name: 1-[1-[(3,5-difluorophenyl)methyl]-4-piperidyl]-N-isopropyl-piperidine-4-carboxamide 1-[1-[(3,5-difluorophenyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 8.83 -45.2 2 4 1 37 380.503 5 ↓
Hi High (pH 8-9.5) 2.97 6.44 -9.19 1 4 0 36 379.495 5 ↓
Hi High (pH 8-9.5) 2.97 8.7 -52.4 2 4 1 37 380.503 5 ↓

Analogs

39749745
39749745

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Popular Name: N-(2-methylsulfanylethyl)-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-(2-methylsulfanylethyl)-1-[1-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 9.79 -45.69 2 4 1 37 390.617 7 ↓
Lo Low (pH 4.5-6) 2.97 9.83 -46.68 2 4 1 37 390.617 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-hydroxy-2,2-dimethyl-propyl)-1-[1-(o-tolylmethyl)-4-piperidyl]piperidine-4-carboxamide N-(3-hydroxy-2,2-dimethyl-propyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 7.62 -44.23 3 5 1 57 402.603 7 ↓
Lo Low (pH 4.5-6) 2.97 7.65 -45.15 3 5 1 57 402.603 7 ↓

Analogs

39765992
39765992
39765994
39765994

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-N-isopropyl-piperidine-4-carboxamide 1-[1-[(2-chloro-6-fluoro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 9.06 -42.55 2 4 1 37 396.958 5 ↓
Hi High (pH 8-9.5) 3.46 6.85 -9.21 1 4 0 36 395.95 5 ↓
Hi High (pH 8-9.5) 3.46 9.1 -37.43 2 4 1 37 396.958 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(3,4-dimethylphenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(3,4-dimethylphenyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 8.01 -39.96 2 5 1 46 388.576 7 ↓
Mid Mid (pH 6-8) 2.85 8.15 -38.35 2 5 1 46 388.576 7 ↓
Lo Low (pH 4.5-6) 2.85 10.4 -108.22 3 5 2 47 389.584 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-[(3,4-dimethylphenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(3,4-dimethylphenyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 8.21 -40.04 2 5 1 46 388.576 7 ↓
Mid Mid (pH 6-8) 2.85 8.15 -38.05 2 5 1 46 388.576 7 ↓
Lo Low (pH 4.5-6) 2.85 10.41 -107.87 3 5 2 47 389.584 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-[(2,4-difluorophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(2,4-difluorophenyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 7.04 -40.21 2 5 1 46 396.502 7 ↓
Hi High (pH 8-9.5) 2.28 7.14 -43.35 2 5 1 46 396.502 7 ↓
Lo Low (pH 4.5-6) 2.28 9.33 -111.26 3 5 2 47 397.51 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(2,4-difluorophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(2,4-difluorophenyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 7.04 -40.04 2 5 1 46 396.502 7 ↓
Hi High (pH 8-9.5) 2.28 6.94 -43.18 2 5 1 46 396.502 7 ↓
Lo Low (pH 4.5-6) 2.28 9.33 -111.22 3 5 2 47 397.51 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(4-cyanophenyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 7.3 -43.22 2 6 1 70 385.532 7 ↓
Hi High (pH 8-9.5) 1.78 5.12 -10.95 1 6 0 69 384.524 7 ↓
Lo Low (pH 4.5-6) 1.78 9.56 -121.95 3 6 2 71 386.54 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(4-cyanophenyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 7.3 -43.57 2 6 1 70 385.532 7 ↓
Hi High (pH 8-9.5) 1.78 4.91 -10.65 1 6 0 69 384.524 7 ↓
Lo Low (pH 4.5-6) 1.78 9.56 -122.38 3 6 2 71 386.54 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-[(2-chlorophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(2-chlorophenyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 7.52 -37.8 2 5 1 46 394.967 7 ↓
Hi High (pH 8-9.5) 2.65 7.32 -37.06 2 5 1 46 394.967 7 ↓
Lo Low (pH 4.5-6) 2.65 9.68 -104.05 3 5 2 47 395.975 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(2-chlorophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(2-chlorophenyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 7.37 -37.94 2 5 1 46 394.967 7 ↓
Hi High (pH 8-9.5) 2.65 7.27 -37.19 2 5 1 46 394.967 7 ↓
Lo Low (pH 4.5-6) 2.65 9.66 -103.9 3 5 2 47 395.975 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methoxyethyl)-1-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]piperidine-3-carboxamide (3R)-N-(2-methoxyethyl)-1-[1-[(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 6.28 -43.16 2 6 1 55 390.548 8 ↓
Mid Mid (pH 6-8) 2.08 6.21 -39.61 2 6 1 55 390.548 8 ↓
Lo Low (pH 4.5-6) 2.08 8.47 -110.75 3 6 2 56 391.556 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]piperidine-3-carboxamide (3S)-N-(2-methoxyethyl)-1-[1-[(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 6.08 -43.05 2 6 1 55 390.548 8 ↓
Mid Mid (pH 6-8) 2.08 6.21 -40.26 2 6 1 55 390.548 8 ↓
Lo Low (pH 4.5-6) 2.08 8.47 -111.41 3 6 2 56 391.556 8 ↓

Analogs

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Popular Name: (3S)-1-[1-[(3-fluoro-4-methyl-phenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(3-fluoro-4-methyl-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 7.49 -44.04 2 5 1 46 392.539 7 ↓
Mid Mid (pH 6-8) 2.56 7.64 -40.14 2 5 1 46 392.539 7 ↓
Lo Low (pH 4.5-6) 2.56 9.88 -113.01 3 5 2 47 393.547 7 ↓

Analogs

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Popular Name: (3R)-1-[1-[(3-fluoro-4-methyl-phenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(3-fluoro-4-methyl-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 7.69 -44.19 2 5 1 46 392.539 7 ↓
Mid Mid (pH 6-8) 2.56 7.64 -39.25 2 5 1 46 392.539 7 ↓
Lo Low (pH 4.5-6) 2.56 9.89 -112.01 3 5 2 47 393.547 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(3-fluoro-2-methyl-phenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(3-fluoro-2-methyl-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 7.49 -40.46 2 5 1 46 392.539 7 ↓
Hi High (pH 8-9.5) 2.54 7.42 -44.33 2 5 1 46 392.539 7 ↓
Lo Low (pH 4.5-6) 2.54 9.81 -114.07 3 5 2 47 393.547 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-[(3-fluoro-2-methyl-phenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(3-fluoro-2-methyl-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.2 -40.65 2 5 1 46 392.539 7 ↓
Hi High (pH 8-9.5) 2.54 7.5 -43.88 2 5 1 46 392.539 7 ↓
Lo Low (pH 4.5-6) 2.54 9.87 -114.06 3 5 2 47 393.547 7 ↓

Analogs

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Popular Name: (3S)-1-[1-[(5-tert-butyl-2-hydroxy-phenyl)methyl]-4-piperidyl]piperidin-3-ol (3S)-1-[1-[(5-tert-butyl-2-hydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 5.06 -33.8 3 4 1 48 347.523 4 ↓
Lo Low (pH 4.5-6) 3.54 7.44 -102.52 4 4 2 49 348.531 4 ↓

Analogs

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Popular Name: (3R)-1-[1-[(5-tert-butyl-2-hydroxy-phenyl)methyl]-4-piperidyl]piperidin-3-ol (3R)-1-[1-[(5-tert-butyl-2-hydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 5.12 -35.37 3 4 1 48 347.523 4 ↓
Lo Low (pH 4.5-6) 3.54 7.53 -107.43 4 4 2 49 348.531 4 ↓

Analogs

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Popular Name: (3S)-1-[1-[(3,5-dimethylphenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(3,5-dimethylphenyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 8.11 -40.15 2 5 1 46 388.576 7 ↓
Mid Mid (pH 6-8) 2.85 8.24 -38.41 2 5 1 46 388.576 7 ↓
Lo Low (pH 4.5-6) 2.85 10.5 -108.67 3 5 2 47 389.584 7 ↓

Analogs

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Popular Name: (3R)-1-[1-[(3,5-dimethylphenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(3,5-dimethylphenyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 8.31 -40.3 2 5 1 46 388.576 7 ↓
Mid Mid (pH 6-8) 2.85 8.24 -38.05 2 5 1 46 388.576 7 ↓
Lo Low (pH 4.5-6) 2.85 10.51 -108.2 3 5 2 47 389.584 7 ↓

Analogs

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Popular Name: (3R)-1-[1-[(2-fluorophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-[1-[(2-fluorophenyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.81 -38.86 2 5 1 46 378.512 7 ↓
Hi High (pH 8-9.5) 2.14 6.69 -38.05 2 5 1 46 378.512 7 ↓
Lo Low (pH 4.5-6) 2.14 9.06 -105.65 3 5 2 47 379.52 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(2-fluorophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(2-fluorophenyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.97 -38.65 2 5 1 46 378.512 7 ↓
Hi High (pH 8-9.5) 2.14 6.87 -38.32 2 5 1 46 378.512 7 ↓
Lo Low (pH 4.5-6) 2.14 9.26 -104.89 3 5 2 47 379.52 7 ↓

Analogs

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Popular Name: (3R)-N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]piperidine-3-carboxamide (3R)-N-(2-methoxyethyl)-1-[1-[(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 6.28 -41.57 2 6 1 55 390.548 8 ↓
Lo Low (pH 4.5-6) 2.06 8.47 -108.92 3 6 2 56 391.556 8 ↓
Lo Low (pH 4.5-6) 2.06 6.22 -39.63 2 6 1 55 390.548 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]piperidine-3-carboxamide (3S)-N-(2-methoxyethyl)-1-[1-[(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 6.08 -41.44 2 6 1 55 390.548 8 ↓
Lo Low (pH 4.5-6) 2.06 8.47 -109.24 3 6 2 56 391.556 8 ↓
Lo Low (pH 4.5-6) 2.06 6.22 -39.7 2 6 1 55 390.548 8 ↓

Analogs

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Popular Name: (3R,4R)-1-[(2-allyloxyphenyl)methyl]-4-(4-hydroxy-1-piperidyl)piperidin-3-ol (3R,4R)-1-[(2-allyloxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 3.11 -33.21 3 5 1 57 347.479 6 ↓
Lo Low (pH 4.5-6) 0.92 5.38 -103.51 4 5 2 59 348.487 6 ↓

Parameters Provided:

ring.id = 19495
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 19495 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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