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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: 1-(dimethylsulfamoyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide 1-(dimethylsulfamoyl)-N-(3-pyrid…

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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) -0.24 1.93 -14.07 1 7 0 83 326.422 5 ↓
Lo Low (pH 4.5-6) -0.24 2.21 -48.28 2 7 1 84 327.43 5 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-4-methyl-N-(3-pyridylmethyl)piperidine-4-carboxamide N-(2-cyanoethyl)-4-methyl-N-(3-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) -0.26 5.85 -51.51 2 5 1 74 287.387 5 ↓
Lo Low (pH 4.5-6) -0.26 6.32 -94.59 3 5 2 75 288.395 5 ↓

Analogs

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Popular Name: 4-methyl-N-(3-pyridylmethyl)piperidine-4-carboxamide 4-methyl-N-(3-pyridylmethyl)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) 0.36 3.11 -41.24 3 4 1 59 234.323 3 ↓
Lo Low (pH 4.5-6) 0.36 3.58 -88.62 4 4 2 60 235.331 3 ↓

Analogs

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Popular Name: 4-methyl-N-[(1S)-1-(3-pyridyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-1-(3-pyridyl)et…

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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 3.93 -41.92 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.92 4.42 -85.02 4 4 2 60 249.358 3 ↓

Analogs

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Popular Name: 4-methyl-N-[(1R)-1-(3-pyridyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-1-(3-pyridyl)et…

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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 3.93 -40.84 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.92 4.42 -87.98 4 4 2 60 249.358 3 ↓

Analogs

15855989
15855989

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Popular Name: N,4-dimethyl-N-(3-pyridylmethyl)piperidine-4-carboxamide N,4-dimethyl-N-(3-pyridylmethyl)…

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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) 0.28 4.66 -43.6 2 4 1 50 248.35 3 ↓
Lo Low (pH 4.5-6) 0.28 5.13 -84.21 3 4 2 51 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxy-3-pyridyl)methyl]-4-methyl-piperidine-4-carboxamide N-[(2-methoxy-3-pyridyl)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) 0.71 1.65 -40.74 3 5 1 68 264.349 4 ↓

Analogs

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Popular Name: N-isopropyl-4-methyl-N-(3-pyridylmethyl)piperidine-4-carboxamide N-isopropyl-4-methyl-N-(3-pyridy…

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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) 0.95 5.62 -42.45 2 4 1 50 276.404 4 ↓
Lo Low (pH 4.5-6) 0.95 6.09 -87.81 3 4 2 51 277.412 4 ↓

Analogs

40828403
40828403

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]-4-methyl-piperidine-4-carboxamide N-[(6-methoxy-3-pyridyl)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) 0.76 1.59 -42.59 3 5 1 68 264.349 4 ↓

Analogs

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Popular Name: N-[(2-isopropoxy-3-pyridyl)methyl]-4-methyl-piperidine-4-carboxamide N-[(2-isopropoxy-3-pyridyl)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) 1.45 3.51 -40.61 3 5 1 68 292.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(6-methyl-3-pyridyl)methyl]piperidine-4-carboxamide 4-methyl-N-[(6-methyl-3-pyridyl)…

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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) 0.42 3.72 -42.85 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.42 4.16 -83.85 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-(3-pyridylmethyl)piperidine-4-carboxamide 4-ethyl-N-(3-pyridylmethyl)piper…

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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) 0.70 3.6 -42.52 3 4 1 59 248.35 4 ↓
Lo Low (pH 4.5-6) 0.70 4.06 -91.12 4 4 2 60 249.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-(3-pyridylmethyl)piperidine-4-carboxamide 4-propyl-N-(3-pyridylmethyl)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) 1.26 4.36 -42.75 3 4 1 59 262.377 5 ↓
Lo Low (pH 4.5-6) 1.26 4.82 -91.55 4 4 2 60 263.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1S)-1-(3-pyridyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1S)-1-(3-pyridyl)eth…

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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) 1.26 4.4 -41.95 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 1.26 4.88 -90.45 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1R)-1-(3-pyridyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1R)-1-(3-pyridyl)eth…

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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) 1.26 4.44 -43.49 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 1.26 4.91 -86.75 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-[(1S)-1-(3-pyridyl)ethyl]piperidine-4-carboxamide 4-propyl-N-[(1S)-1-(3-pyridyl)et…

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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 5.16 -42.21 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.82 5.65 -90.85 4 4 2 60 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-[(1R)-1-(3-pyridyl)ethyl]piperidine-4-carboxamide 4-propyl-N-[(1R)-1-(3-pyridyl)et…

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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 5.13 -42.22 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.82 5.62 -90.17 4 4 2 60 277.412 5 ↓

Analogs

15855989
15855989

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-methyl-N-(3-pyridylmethyl)piperidine-4-carboxamide 4-ethyl-N-methyl-N-(3-pyridylmet…

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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) 0.61 5.18 -44.74 2 4 1 50 262.377 4 ↓
Lo Low (pH 4.5-6) 0.61 5.64 -84.4 3 4 2 51 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-propyl-N-(3-pyridylmethyl)piperidine-4-carboxamide N-methyl-4-propyl-N-(3-pyridylme…

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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 5.94 -45.01 2 4 1 50 276.404 5 ↓
Lo Low (pH 4.5-6) 1.17 6.41 -84.77 3 4 2 51 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(2-methoxy-3-pyridyl)methyl]piperidine-4-carboxamide 4-ethyl-N-[(2-methoxy-3-pyridyl)…

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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) 1.04 2.14 -41.77 3 5 1 68 278.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxy-3-pyridyl)methyl]-4-propyl-piperidine-4-carboxamide N-[(2-methoxy-3-pyridyl)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) 1.60 2.9 -41.95 3 5 1 68 292.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-isopropyl-N-(3-pyridylmethyl)piperidine-4-carboxamide 4-ethyl-N-isopropyl-N-(3-pyridyl…

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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) 1.28 6.16 -44.06 2 4 1 50 290.431 5 ↓
Lo Low (pH 4.5-6) 1.28 6.61 -81.13 3 4 2 51 291.439 5 ↓

Analogs

40828403
40828403

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Popular Name: 4-ethyl-N-[(6-methoxy-3-pyridyl)methyl]piperidine-4-carboxamide 4-ethyl-N-[(6-methoxy-3-pyridyl)…

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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) 1.09 2.07 -43.98 3 5 1 68 278.376 5 ↓

Analogs

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]-4-propyl-piperidine-4-carboxamide N-[(6-methoxy-3-pyridyl)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) 1.65 2.83 -44.23 3 5 1 68 292.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(6-methyl-3-pyridyl)methyl]piperidine-4-carboxamide 4-ethyl-N-[(6-methyl-3-pyridyl)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) 0.75 4.21 -42.59 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 0.75 4.63 -88.78 4 4 2 60 263.385 4 ↓

Analogs

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Popular Name: N-[(6-methyl-3-pyridyl)methyl]-4-propyl-piperidine-4-carboxamide N-[(6-methyl-3-pyridyl)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) 1.31 4.96 -42.91 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.31 5.4 -89.19 4 4 2 60 277.412 5 ↓

Analogs

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Popular Name: N-[(6-methyl-3-pyridyl)methyl]-1-prop-2-ynyl-piperidine-4-carboxamide N-[(6-methyl-3-pyridyl)methyl]-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) 0.60 4.44 -10.43 1 4 0 45 271.364 4 ↓
Mid Mid (pH 6-8) 0.60 6.73 -44.78 2 4 1 46 272.372 4 ↓
Lo Low (pH 4.5-6) 0.60 7.16 -87.29 3 4 2 48 273.38 4 ↓

Analogs

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Popular Name: N1-methyl-N4-(3-pyridylmethyl)piperidine-1,4-dicarboxamide N1-methyl-N4-(3-pyridylmethyl)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) 0.59 2.84 -15.45 2 6 0 74 276.34 3 ↓
Lo Low (pH 4.5-6) 0.59 3.3 -47.56 3 6 1 76 277.348 3 ↓

Analogs

36771609
36771609
15855989
15855989
6022818
6022818

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Popular Name: N-isopropyl-N-(3-pyridylmethyl)piperidine-4-carboxamide N-isopropyl-N-(3-pyridylmethyl)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) 0.71 5.87 -48.77 2 4 1 50 262.377 4 ↓
Lo Low (pH 4.5-6) 0.71 6.33 -105.37 3 4 2 51 263.385 4 ↓

Analogs

22241634
22241634
19831515
19831515

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Popular Name: N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide N-(2-dimethylaminoethyl)-N-(3-py…

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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) 0.06 6.75 -116.73 3 5 2 54 292.427 6 ↓

Parameters Provided:

ring.id = 66367
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 = 66367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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