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

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Popular Name: N-Boc-(2,3-dimethoxyphenyl)-4-piperidinylmethanone N-Boc-(2,3-dimethoxyphenyl)-4-pi…

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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) 3.12 9.24 -16.39 0 6 0 65 349.427 6 ↓

Analogs

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Popular Name: N-carbamoyl-3-[4-(2,5-difluorobenzoyl)-1-piperidyl]propanamide N-carbamoyl-3-[4-(2,5-difluorobe…

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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) 1.17 5.93 -62.35 4 6 1 94 340.35 5 ↓
Hi High (pH 8-9.5) 1.17 3.7 -22.09 3 6 0 93 339.342 5 ↓

Analogs

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Popular Name: (4-ethoxy-3-fluoro-phenyl)-(4-piperidyl)methanone (4-ethoxy-3-fluoro-phenyl)-(4-pi…

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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) 2.19 6.15 -46.53 2 3 1 43 252.309 4 ↓

Analogs

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Popular Name: (4-butoxyphenyl)-(4-piperidyl)methanone (4-butoxyphenyl)-(4-piperidyl)me…

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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 7.65 -46.73 2 3 1 43 262.373 6 ↓

Analogs

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Popular Name: [4-(2-methoxyethoxy)phenyl]-(4-piperidyl)methanone [4-(2-methoxyethoxy)phenyl]-(4-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) 1.62 5.34 -48.32 2 4 1 52 264.345 6 ↓

Analogs

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Popular Name: 1-[4-(2,5-difluorobenzoyl)-1-piperidyl]-3-ethylsulfanyl-propan-1-one 1-[4-(2,5-difluorobenzoyl)-1-pip…

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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) 3.01 10.07 -13.21 0 3 0 37 341.423 6 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[1-[3-(2,2,2-trifluoroethoxy)propyl]-4-piperidyl]methanone (4-chlorophenyl)-[1-[3-(2,2,2-tr…

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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) 4.12 10.48 -51.17 1 3 1 31 364.815 8 ↓
Hi High (pH 8-9.5) 4.12 8.24 -9.94 0 3 0 30 363.807 8 ↓

Analogs

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Popular Name: (4-fluorophenyl)[1-(3,3,3-trifluoro-2-hydroxypropyl)-4-piperidinyl]methanone (4-fluorophenyl)[1-(3,3,3-triflu…

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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) 2.71 7.26 -35.94 1 3 0 45 319.298 5 ↓

Analogs

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Popular Name: (4-fluorophenyl)[1-(3,3,3-trifluoro-2-hydroxypropyl)-4-piperidinyl]methanone (4-fluorophenyl)[1-(3,3,3-triflu…

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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) 2.71 7.22 -37.65 1 3 0 45 319.298 5 ↓

Analogs

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Popular Name: N-isobutyl-4-(4-methylbenzoyl)piperidine-1-carboxamide N-isobutyl-4-(4-methylbenzoyl)pi…

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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) 4.04 8.99 -13.46 1 4 0 49 302.418 4 ↓

Analogs

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Popular Name: 4-(4-methylbenzoyl)-N-prop-2-ynyl-piperidine-1-carboxamide 4-(4-methylbenzoyl)-N-prop-2-yny…

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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) 3.07 7.96 -13.59 1 4 0 49 284.359 3 ↓

Analogs

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Popular Name: N-[2-(dimethylamino)-2-oxo-ethyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide N-[2-(dimethylamino)-2-oxo-ethyl…

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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) 1.82 7.03 -15.69 1 6 0 70 331.416 4 ↓

Analogs

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Popular Name: 4-(4-methylbenzoyl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide 4-(4-methylbenzoyl)-N-[(1R)-1-me…

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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) 3.23 7.54 -15.3 2 6 0 79 359.47 6 ↓

Analogs

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Popular Name: 4-(4-methylbenzoyl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide 4-(4-methylbenzoyl)-N-[(1S)-1-me…

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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) 3.23 7.6 -15.43 2 6 0 79 359.47 6 ↓

Analogs

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Popular Name: 3-[4-(4-chlorobenzoyl)-1-piperidyl]-N-isopropyl-propanamide 3-[4-(4-chlorobenzoyl)-1-piperid…

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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) 2.99 9.15 -49.12 2 4 1 51 337.871 6 ↓
Hi High (pH 8-9.5) 2.99 6.92 -10.32 1 4 0 49 336.863 6 ↓

Analogs

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Popular Name: (4-chlorophenyl)-(1-propyl-4-piperidyl)methanone (4-chlorophenyl)-(1-propyl-4-pip…

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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) 3.82 9.98 -42.54 1 2 1 22 266.792 4 ↓
Hi High (pH 8-9.5) 3.82 7.74 -5.6 0 2 0 20 265.784 4 ↓

Analogs

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Popular Name: (4-chlorophenyl)-(1-ethyl-4-piperidyl)methanone (4-chlorophenyl)-(1-ethyl-4-pipe…

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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) 3.32 9.23 -41.82 1 2 1 22 252.765 3 ↓
Hi High (pH 8-9.5) 3.32 6.99 -5.69 0 2 0 20 251.757 3 ↓

Analogs

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Popular Name: (2S)-2-[4-(4-chlorobenzoyl)-1-piperidyl]-N-isopentyl-propanamide (2S)-2-[4-(4-chlorobenzoyl)-1-pi…

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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) 4.03 10.21 -47.02 2 4 1 51 365.925 7 ↓
Mid Mid (pH 6-8) 4.03 8.07 -14.14 1 4 0 49 364.917 7 ↓

Analogs

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Popular Name: (2S)-2-[4-(4-chlorobenzoyl)-1-piperidyl]-N-(3-ethoxypropyl)propanamide (2S)-2-[4-(4-chlorobenzoyl)-1-pi…

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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) 3.01 8.96 -48.05 2 5 1 60 381.924 9 ↓
Mid Mid (pH 6-8) 3.01 6.81 -14.59 1 5 0 59 380.916 9 ↓

Analogs

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Popular Name: (2R)-2-[4-(4-chlorobenzoyl)-1-piperidyl]-N,N-diethyl-propanamide (2R)-2-[4-(4-chlorobenzoyl)-1-pi…

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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 10.9 -48.57 1 4 1 42 351.898 6 ↓
Mid Mid (pH 6-8) 3.37 8.75 -15.09 0 4 0 41 350.89 6 ↓

Analogs

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Popular Name: (2S)-N-allyl-2-[4-(4-chlorobenzoyl)-1-piperidyl]propanamide (2S)-N-allyl-2-[4-(4-chlorobenzo…

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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) 3.02 8.72 -46.77 2 4 1 51 335.855 6 ↓
Mid Mid (pH 6-8) 3.02 6.56 -13.97 1 4 0 49 334.847 6 ↓

Analogs

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Popular Name: (2R)-N-carbamoyl-2-[4-(4-chlorobenzoyl)-1-piperidyl]propanamide (2R)-N-carbamoyl-2-[4-(4-chlorob…

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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) 1.65 6.12 -62.69 4 6 1 94 338.815 4 ↓
Mid Mid (pH 6-8) 1.65 3.84 -23.24 3 6 0 93 337.807 4 ↓

Analogs

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Popular Name: 2-[4-(4-chlorobenzoyl)-1-piperidyl]-N,N-diethyl-acetamide 2-[4-(4-chlorobenzoyl)-1-piperid…

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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) 3.04 10.79 -50.41 1 4 1 42 337.871 6 ↓
Mid Mid (pH 6-8) 3.04 8.59 -14.34 0 4 0 41 336.863 6 ↓

Analogs

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Popular Name: N-allyl-2-[4-(4-chlorobenzoyl)-1-piperidyl]acetamide N-allyl-2-[4-(4-chlorobenzoyl)-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) 3.19 8.34 -51 2 4 1 51 321.828 6 ↓
Mid Mid (pH 6-8) 3.19 6.17 -14.17 1 4 0 49 320.82 6 ↓

Analogs

15935847
15935847

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Popular Name: 2-[4-(4-chlorobenzoyl)-1-piperidyl]-N-propyl-acetamide 2-[4-(4-chlorobenzoyl)-1-piperid…

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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) 3.43 8.55 -51.17 2 4 1 51 323.844 6 ↓
Mid Mid (pH 6-8) 3.43 6.38 -14.43 1 4 0 49 322.836 6 ↓

Analogs

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Popular Name: N-carbamoyl-3-[4-(4-hydroxybenzoyl)-1-piperidyl]propanamide N-carbamoyl-3-[4-(4-hydroxybenzo…

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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) 0.44 2.91 -64.35 5 7 1 114 320.369 5 ↓

Analogs

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Popular Name: N-[3-[4-(4-isobutylbenzoyl)-1-piperidyl]propyl]methanesulfonamide N-[3-[4-(4-isobutylbenzoyl)-1-pi…

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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) 3.00 8.3 -57.91 2 5 1 68 381.562 9 ↓
Hi High (pH 8-9.5) 3.00 6.06 -16.7 1 5 0 66 380.554 9 ↓

Analogs

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Popular Name: methyl 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) 2.71 7.29 -11.81 0 4 0 47 311.328 5 ↓
Mid Mid (pH 6-8) 2.71 9.53 -45.72 1 4 1 48 312.336 5 ↓

Analogs

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Popular Name: methyl 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) 2.71 7.28 -11.92 0 4 0 47 311.328 5 ↓
Mid Mid (pH 6-8) 2.71 9.53 -45.83 1 4 1 48 312.336 5 ↓

Analogs

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Popular Name: phenyl-(1-prop-2-ynyl-4-piperidyl)methanone phenyl-(1-prop-2-ynyl-4-piperidy…

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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) 2.42 6.97 -8.84 0 2 0 20 227.307 3 ↓
Lo Low (pH 4.5-6) 2.42 9.25 -43.66 1 2 1 22 228.315 3 ↓

Analogs

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Popular Name: (1-allyl-4-piperidyl)-phenyl-methanone (1-allyl-4-piperidyl)-phenyl-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) 2.91 9.31 -41.13 1 2 1 22 230.331 4 ↓
Hi High (pH 8-9.5) 2.91 7.04 -6.69 0 2 0 20 229.323 4 ↓

Analogs

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Popular Name: butyl butyl

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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) 3.52 11.96 -47.54 1 4 1 48 318.437 9 ↓
Mid Mid (pH 6-8) 3.52 9.72 -8.96 0 4 0 47 317.429 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.52 9.7 -48.65 1 5 1 57 320.409 8 ↓
Mid Mid (pH 6-8) 2.52 7.46 -9.7 0 5 0 56 319.401 8 ↓

Analogs

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Popular Name: [1-(3-hydroxypropyl)-4-piperidyl]-phenyl-methanone [1-(3-hydroxypropyl)-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) 1.90 6.11 -44.87 2 3 1 42 248.346 5 ↓
Hi High (pH 8-9.5) 1.90 3.89 -9.48 1 3 0 41 247.338 5 ↓

Analogs

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Popular Name: [1-(3-hydroxypropyl)-4-piperidyl]-(4-methoxyphenyl)methanone [1-(3-hydroxypropyl)-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) 1.96 5.44 -45.96 2 4 1 51 278.372 6 ↓
Hi High (pH 8-9.5) 1.96 3.21 -9.77 1 4 0 50 277.364 6 ↓

Analogs

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Popular Name: butyl butyl

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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) 3.62 8.48 -13 0 5 0 56 333.428 9 ↓
Mid Mid (pH 6-8) 3.62 10.65 -49.86 1 5 1 57 334.436 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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 7.93 -13.4 0 4 0 47 297.301 4 ↓

Analogs

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Popular Name: [(1S)-2-[4-(4-chlorobenzoyl)-1-piperidyl]-1-methyl-2-oxo-ethyl]urea [(1S)-2-[4-(4-chlorobenzoyl)-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) 1.65 3.82 -15.41 3 6 0 93 337.807 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[4-(4-chlorobenzoyl)-1-piperidyl]-1-methyl-2-oxo-ethyl]urea [(1R)-2-[4-(4-chlorobenzoyl)-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) 1.65 3.9 -14.09 3 6 0 93 337.807 4 ↓

Analogs

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Popular Name: 1-(4-benzoyl-1-piperidyl)-3-methyl-but-2-en-1-one 1-(4-benzoyl-1-piperidyl)-3-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) 3.26 9.09 -12.29 0 3 0 37 271.36 3 ↓

Analogs

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Popular Name: 4-(4-methoxybenzoyl)-N-prop-2-ynyl-piperidine-1-carboxamide 4-(4-methoxybenzoyl)-N-prop-2-yn…

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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) 2.68 6.59 -14.28 1 5 0 59 300.358 4 ↓

Analogs

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Popular Name: N-[2-[4-(4-chlorobenzoyl)-1-piperidyl]ethyl]methanesulfonamide N-[2-[4-(4-chlorobenzoyl)-1-pipe…

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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) 2.10 5.35 -58.7 2 5 1 68 345.872 6 ↓
Mid Mid (pH 6-8) 2.10 3.13 -14.67 1 5 0 66 344.864 6 ↓

Analogs

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Popular Name: o-tolyl(4-piperidyl)methanone o-tolyl(4-piperidyl)methanone

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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) 2.07 6.51 -45.23 2 2 1 34 204.293 2 ↓

Analogs

2526406
2526406

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Popular Name: (3,5-dimethylphenyl)-(4-piperidyl)methanone (3,5-dimethylphenyl)-(4-piperidy…

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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) 2.49 7.15 -46.26 2 2 1 34 218.32 2 ↓

Analogs

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Popular Name: (2-methoxyphenyl)-(4-piperidyl)methanone (2-methoxyphenyl)-(4-piperidyl)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) 1.68 6.39 -48.09 2 3 1 43 220.292 3 ↓

Analogs

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Popular Name: 4-(3-METHOXYBENZOYL)PIPERIDINE HYDROCHLORIDE 4-(3-METHOXYBENZOYL)PIPERIDINE H…

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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) 1.70 5.13 -49.81 2 3 1 43 220.292 3 ↓

Analogs

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Popular Name: (3,5-difluorophenyl)-(4-piperidyl)methanone (3,5-difluorophenyl)-(4-piperidy…

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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) 1.92 5.97 -47.48 2 2 1 34 226.246 2 ↓

Analogs

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Popular Name: 2-[4-(4-chlorobenzoyl)-1-piperidyl]acetonitrile 2-[4-(4-chlorobenzoyl)-1-piperid…

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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) 2.73 6.68 -13.9 0 3 0 44 262.74 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-chlorobenzoyl)-1-piperidyl]acetamide 2-[4-(4-chlorobenzoyl)-1-piperid…

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Activity (Go SEA)

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) 1.67 5.47 -51.03 3 4 1 65 281.763 4 ↓
Hi High (pH 8-9.5) 1.67 3.27 -14.73 2 4 0 63 280.755 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-chlorobenzoyl)-N-methoxy-piperidine-1-carboxamide 4-(4-chlorobenzoyl)-N-methoxy-pi…

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Activity (Go SEA)

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 7.48 -16.75 1 5 0 59 296.754 3 ↓

Parameters Provided:

ring.id = 6070
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 6070 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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