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Analogs

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Popular Name: (3R)-N3-ethyl-N1-(4-pyridyl)piperidine-1,3-dicarboxamide (3R)-N3-ethyl-N1-(4-pyridyl)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) 0.66 3.51 -12.64 2 6 0 74 276.34 3 ↓
Mid Mid (pH 6-8) 0.66 3.97 -41.79 3 6 1 76 277.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N3-ethyl-N1-(4-pyridyl)piperidine-1,3-dicarboxamide (3S)-N3-ethyl-N1-(4-pyridyl)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) 0.66 3.52 -12.68 2 6 0 74 276.34 3 ↓
Mid Mid (pH 6-8) 0.66 3.97 -42.06 3 6 1 76 277.348 3 ↓

Analogs

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Popular Name: tert-butyl tert-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) 1.10 3.26 -16.09 3 9 0 113 391.472 7 ↓
Mid Mid (pH 6-8) 1.10 3.72 -44.44 4 9 1 114 392.48 7 ↓

Analogs

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Popular Name: tert-butyl tert-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) 1.10 3.27 -16.08 3 9 0 113 391.472 7 ↓
Mid Mid (pH 6-8) 1.10 3.72 -44.59 4 9 1 114 392.48 7 ↓

Analogs

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Popular Name: (3R,6S)-N3-butyl-6-methyl-N1-(4-pyridyl)piperidine-1,3-dicarboxamide (3R,6S)-N3-butyl-6-methyl-N1-(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) 2.05 5.83 -16.71 2 6 0 74 318.421 5 ↓
Mid Mid (pH 6-8) 2.05 6.28 -44.66 3 6 1 76 319.429 5 ↓

Analogs

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Popular Name: (3S,6S)-N3-butyl-6-methyl-N1-(4-pyridyl)piperidine-1,3-dicarboxamide (3S,6S)-N3-butyl-6-methyl-N1-(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) 2.05 5.65 -13.35 2 6 0 74 318.421 5 ↓
Mid Mid (pH 6-8) 2.05 6.09 -43.61 3 6 1 76 319.429 5 ↓

Analogs

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Popular Name: (3R,6R)-N3-butyl-6-methyl-N1-(4-pyridyl)piperidine-1,3-dicarboxamide (3R,6R)-N3-butyl-6-methyl-N1-(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) 2.05 5.67 -13.34 2 6 0 74 318.421 5 ↓
Mid Mid (pH 6-8) 2.05 6.13 -43.72 3 6 1 76 319.429 5 ↓

Analogs

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Popular Name: (3S,6R)-N3-butyl-6-methyl-N1-(4-pyridyl)piperidine-1,3-dicarboxamide (3S,6R)-N3-butyl-6-methyl-N1-(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) 2.05 5.62 -14.17 2 6 0 74 318.421 5 ↓
Mid Mid (pH 6-8) 2.05 6.08 -44.32 3 6 1 76 319.429 5 ↓

Analogs

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Popular Name: (3S)-N3-isopropyl-N3-methyl-N1-(4-pyridyl)piperidine-1,3-dicarboxamide (3S)-N3-isopropyl-N3-methyl-N1-(…

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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) 1.20 5.91 -12.06 1 6 0 66 304.394 3 ↓
Mid Mid (pH 6-8) 1.20 6.37 -41.68 2 6 1 67 305.402 3 ↓

Analogs

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Popular Name: (2R)-2-ethyl-N-(4-pyridyl)piperidine-1-carboxamide (2R)-2-ethyl-N-(4-pyridyl)piperi…

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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) 2.17 5.76 -8.53 1 4 0 45 233.315 2 ↓
Mid Mid (pH 6-8) 2.17 6.21 -34.1 2 4 1 46 234.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-N-(4-pyridyl)piperidine-1-carboxamide (2S)-2-ethyl-N-(4-pyridyl)piperi…

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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) 2.17 5.74 -8.63 1 4 0 45 233.315 2 ↓
Mid Mid (pH 6-8) 2.17 6.21 -34.52 2 4 1 46 234.323 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-(4-pyridyl)piperidine-1-carboxamide (3R)-3-methyl-N-(4-pyridyl)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) 1.55 5.12 -9.74 1 4 0 45 219.288 1 ↓
Mid Mid (pH 6-8) 1.55 5.57 -35.84 2 4 1 46 220.296 1 ↓

Analogs

5043171
5043171

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(4-pyridyl)piperidine-1-carboxamide (3S)-3-methyl-N-(4-pyridyl)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) 1.55 5.12 -9.69 1 4 0 45 219.288 1 ↓
Mid Mid (pH 6-8) 1.55 5.58 -35.79 2 4 1 46 220.296 1 ↓

Analogs

5043171
5043171

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3,5-dimethyl-N-(4-pyridyl)piperidine-1-carboxamide (3S,5R)-3,5-dimethyl-N-(4-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) 2.03 5.7 -9.2 1 4 0 45 233.315 1 ↓
Mid Mid (pH 6-8) 2.03 6.16 -35.51 2 4 1 46 234.323 1 ↓

Analogs

5043171
5043171

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3,5-dimethyl-N-(4-pyridyl)piperidine-1-carboxamide (3S,5S)-3,5-dimethyl-N-(4-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) 2.03 5.95 -9.18 1 4 0 45 233.315 1 ↓
Mid Mid (pH 6-8) 2.03 6.41 -35.34 2 4 1 46 234.323 1 ↓

Analogs

5043171
5043171

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3,5-dimethyl-N-(4-pyridyl)piperidine-1-carboxamide (3R,5R)-3,5-dimethyl-N-(4-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) 2.03 5.95 -9.15 1 4 0 45 233.315 1 ↓
Mid Mid (pH 6-8) 2.03 6.41 -35.33 2 4 1 46 234.323 1 ↓

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) 1.41 6.07 -13.28 1 6 0 72 277.324 4 ↓
Mid Mid (pH 6-8) 1.41 6.53 -40.03 2 6 1 73 278.332 4 ↓

Analogs

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Popular Name: N1-(4-pyridyl)piperidine-1,4-dicarboxamide N1-(4-pyridyl)piperidine-1,4-dic…

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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) -0.09 1.23 -15.74 3 6 0 88 248.286 2 ↓
Mid Mid (pH 6-8) -0.09 1.69 -41.87 4 6 1 90 249.294 2 ↓

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) 1.41 6.06 -11.19 1 6 0 72 277.324 4 ↓
Mid Mid (pH 6-8) 1.41 6.51 -39.45 2 6 1 73 278.332 4 ↓

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) 1.41 6.06 -12.15 1 6 0 72 277.324 4 ↓
Mid Mid (pH 6-8) 1.41 6.52 -40.35 2 6 1 73 278.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-hydroxy-N-(4-pyridyl)piperidine-1-carboxamide (3S)-3-hydroxy-N-(4-pyridyl)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) 0.16 1.19 -10.93 2 5 0 65 221.26 1 ↓
Mid Mid (pH 6-8) 0.16 1.65 -38.34 3 5 1 67 222.268 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-hydroxy-N-(4-pyridyl)piperidine-1-carboxamide (3R)-3-hydroxy-N-(4-pyridyl)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) 0.16 1.22 -10.85 2 5 0 65 221.26 1 ↓
Mid Mid (pH 6-8) 0.16 1.68 -38.26 3 5 1 67 222.268 1 ↓

Analogs

5043171
5043171

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Popular Name: 4-methyl-N-(4-pyridyl)piperidine-1-carboxamide 4-methyl-N-(4-pyridyl)piperidine…

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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) 1.55 5.12 -9.56 1 4 0 45 219.288 1 ↓
Mid Mid (pH 6-8) 1.55 5.58 -35.71 2 4 1 46 220.296 1 ↓

Analogs

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Popular Name: (3S)-3-(hydroxymethyl)-N-(4-pyridyl)piperidine-1-carboxamide (3S)-3-(hydroxymethyl)-N-(4-pyri…

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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) 0.54 1.83 -13.51 2 5 0 65 235.287 2 ↓
Mid Mid (pH 6-8) 0.54 2.28 -38.63 3 5 1 67 236.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(hydroxymethyl)-N-(4-pyridyl)piperidine-1-carboxamide (3R)-3-(hydroxymethyl)-N-(4-pyri…

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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) 0.54 1.84 -13.3 2 5 0 65 235.287 2 ↓
Mid Mid (pH 6-8) 0.54 2.3 -38.49 3 5 1 67 236.295 2 ↓

Analogs

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Popular Name: 4-hydroxy-N-(4-pyridyl)piperidine-1-carboxamide 4-hydroxy-N-(4-pyridyl)piperidin…

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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) -0.57 1.21 -11.69 2 5 0 65 221.26 1 ↓
Mid Mid (pH 6-8) -0.57 1.67 -37.97 3 5 1 67 222.268 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-(4-pyridyl)piperidine-1-carboxamide (2R)-2-methyl-N-(4-pyridyl)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) 1.64 5.18 -8.67 1 4 0 45 219.288 1 ↓
Mid Mid (pH 6-8) 1.64 5.64 -34.71 2 4 1 46 220.296 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-(4-pyridyl)piperidine-1-carboxamide (2S)-2-methyl-N-(4-pyridyl)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) 1.64 5.12 -8.52 1 4 0 45 219.288 1 ↓
Mid Mid (pH 6-8) 1.64 5.57 -34.38 2 4 1 46 220.296 1 ↓

Analogs

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Popular Name: N4-methyl-N1-(4-pyridyl)piperidine-1,4-dicarboxamide N4-methyl-N1-(4-pyridyl)piperidi…

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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 2.7 -16.14 2 6 0 74 262.313 2 ↓
Mid Mid (pH 6-8) 0.28 3.16 -42.3 3 6 1 76 263.321 2 ↓

Analogs

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Popular Name: 4-methoxy-N-(4-pyridyl)piperidine-1-carboxamide 4-methoxy-N-(4-pyridyl)piperidin…

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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) 0.04 3.53 -11.15 1 5 0 54 235.287 2 ↓
Mid Mid (pH 6-8) 0.04 3.99 -37.73 2 5 1 56 236.295 2 ↓

Analogs

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Popular Name: 4-(methanesulfonamido)-N-(4-pyridyl)piperidine-1-carboxamide 4-(methanesulfonamido)-N-(4-pyri…

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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) -0.05 0.44 -18.57 2 7 0 91 298.368 3 ↓
Mid Mid (pH 6-8) -0.05 0.9 -46.05 3 7 1 93 299.376 3 ↓

Analogs

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Popular Name: N4-ethyl-N1-(4-pyridyl)piperidine-1,4-dicarboxamide N4-ethyl-N1-(4-pyridyl)piperidin…

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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) 0.66 3.54 -15.64 2 6 0 74 276.34 3 ↓
Mid Mid (pH 6-8) 0.66 3.99 -41.83 3 6 1 76 277.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.05 5.77 -9.75 1 4 0 45 233.315 2 ↓
Mid Mid (pH 6-8) 2.05 6.23 -35.84 2 4 1 46 234.323 2 ↓

Analogs

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

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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) 2.05 5.78 -9.62 1 4 0 45 233.315 2 ↓
Mid Mid (pH 6-8) 2.05 6.23 -35.74 2 4 1 46 234.323 2 ↓

Analogs

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Popular Name: (3R)-3-(methanesulfonamido)-N-(4-pyridyl)piperidine-1-carboxamide (3R)-3-(methanesulfonamido)-N-(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) -0.05 0.5 -21.84 2 7 0 91 298.368 3 ↓
Mid Mid (pH 6-8) -0.05 0.95 -47.13 3 7 1 93 299.376 3 ↓

Analogs

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Popular Name: (3S)-3-(methanesulfonamido)-N-(4-pyridyl)piperidine-1-carboxamide (3S)-3-(methanesulfonamido)-N-(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) -0.05 0.46 -17.76 2 7 0 91 298.368 3 ↓
Mid Mid (pH 6-8) -0.05 0.92 -45.93 3 7 1 93 299.376 3 ↓

Analogs

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Popular Name: 4-(hydroxymethyl)-N-(4-pyridyl)piperidine-1-carboxamide 4-(hydroxymethyl)-N-(4-pyridyl)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) 0.54 1.87 -11.72 2 5 0 65 235.287 2 ↓
Mid Mid (pH 6-8) 0.54 2.33 -38.35 3 5 1 67 236.295 2 ↓

Analogs

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Popular Name: (3R)-N-(4-pyridyl)-3-(ureidomethyl)piperidine-1-carboxamide (3R)-N-(4-pyridyl)-3-(ureidometh…

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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 0.78 -15.07 4 7 0 100 277.328 3 ↓
Mid Mid (pH 6-8) 0.24 1.24 -43.5 5 7 1 102 278.336 3 ↓

Analogs

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Popular Name: (3S)-N-(4-pyridyl)-3-(ureidomethyl)piperidine-1-carboxamide (3S)-N-(4-pyridyl)-3-(ureidometh…

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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 0.8 -15.18 4 7 0 100 277.328 3 ↓
Mid Mid (pH 6-8) 0.24 1.26 -43.62 5 7 1 102 278.336 3 ↓

Analogs

5043171
5043171

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Popular Name: 4-ethyl-N-(4-pyridyl)piperidine-1-carboxamide 4-ethyl-N-(4-pyridyl)piperidine-…

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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) 2.24 5.78 -9.56 1 4 0 45 233.315 2 ↓
Mid Mid (pH 6-8) 2.24 6.24 -35.84 2 4 1 46 234.323 2 ↓

Analogs

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Popular Name: 4-isobutoxy-N-(4-pyridyl)piperidine-1-carboxamide 4-isobutoxy-N-(4-pyridyl)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) 1.17 5.99 -10.66 1 5 0 54 277.368 4 ↓
Mid Mid (pH 6-8) 1.17 6.45 -37.05 2 5 1 56 278.376 4 ↓

Analogs

5043171
5043171

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Popular Name: 4-(2-dimethylaminoethyl)-N-(4-pyridyl)piperidine-1-carboxamide 4-(2-dimethylaminoethyl)-N-(4-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) 1.66 7.07 -45.6 2 5 1 50 277.392 4 ↓
Mid Mid (pH 6-8) 1.66 7.52 -80.24 3 5 2 51 278.4 4 ↓

Analogs

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Popular Name: 4-ethoxy-N-(4-pyridyl)piperidine-1-carboxamide 4-ethoxy-N-(4-pyridyl)piperidine…

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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 4.49 -10.94 1 5 0 54 249.314 3 ↓
Mid Mid (pH 6-8) 0.42 4.95 -37.37 2 5 1 56 250.322 3 ↓

Analogs

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Popular Name: 4-(acetamidomethyl)-N-(4-pyridyl)piperidine-1-carboxamide 4-(acetamidomethyl)-N-(4-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) 0.32 3.59 -17.21 2 6 0 74 276.34 3 ↓
Mid Mid (pH 6-8) 0.32 4.03 -43.55 3 6 1 76 277.348 3 ↓

Analogs

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Popular Name: (3R)-3-propoxy-N-(4-pyridyl)piperidine-1-carboxamide (3R)-3-propoxy-N-(4-pyridyl)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) 1.65 5.28 -10.5 1 5 0 54 263.341 4 ↓
Mid Mid (pH 6-8) 1.65 5.73 -37.55 2 5 1 56 264.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propoxy-N-(4-pyridyl)piperidine-1-carboxamide (3S)-3-propoxy-N-(4-pyridyl)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) 1.65 5.28 -10.49 1 5 0 54 263.341 4 ↓
Mid Mid (pH 6-8) 1.65 5.74 -37.66 2 5 1 56 264.349 4 ↓

Parameters Provided:

ring.id = 177191
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 = 177191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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