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Analogs

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Popular Name: (3R)-N3-(2-pyridylmethyl)piperidine-1,3-dicarboxamide (3R)-N3-(2-pyridylmethyl)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) -0.27 1.25 -13.34 3 6 0 88 262.313 3 ↓
Lo Low (pH 4.5-6) -0.27 1.65 -38.61 4 6 1 90 263.321 3 ↓

Analogs

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Popular Name: (3S)-N3-(2-pyridylmethyl)piperidine-1,3-dicarboxamide (3S)-N3-(2-pyridylmethyl)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) -0.27 1.27 -13.21 3 6 0 88 262.313 3 ↓
Lo Low (pH 4.5-6) -0.27 1.67 -38.52 4 6 1 90 263.321 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-3-ethyl-N-(2-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) 0.76 3.67 -34.89 3 4 1 59 248.35 4 ↓
Lo Low (pH 4.5-6) 0.76 4.08 -80.44 4 4 2 60 249.358 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-3-ethyl-N-(2-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) 0.76 3.72 -36.7 3 4 1 59 248.35 4 ↓
Lo Low (pH 4.5-6) 0.76 4.13 -82.09 4 4 2 60 249.358 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-3-methyl-N-(2-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) 0.43 3.29 -34.23 3 4 1 59 234.323 3 ↓
Lo Low (pH 4.5-6) 0.43 3.7 -79.65 4 4 2 60 235.331 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-3-methyl-N-(2-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) 0.43 3.29 -35.24 3 4 1 59 234.323 3 ↓
Lo Low (pH 4.5-6) 0.43 3.7 -80.52 4 4 2 60 235.331 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-3-propyl-N-(2-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) 1.32 4.44 -35.28 3 4 1 59 262.377 5 ↓
Lo Low (pH 4.5-6) 1.32 4.84 -81.1 4 4 2 60 263.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-3-propyl-N-(2-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) 1.32 4.48 -37.13 3 4 1 59 262.377 5 ↓
Lo Low (pH 4.5-6) 1.32 4.89 -82.74 4 4 2 60 263.385 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(1S)-1-(2-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) 1.32 4.77 -34.26 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 1.32 4.96 -79.62 4 4 2 60 263.385 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(1S)-1-(2-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) 1.32 4.82 -34.08 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 1.32 4.99 -81.33 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(1R)-1-(2-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) 1.32 4.78 -33.97 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 1.32 4.96 -80.93 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(1R)-1-(2-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) 1.32 4.83 -34.46 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 1.32 5 -79.67 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(1S)-1-(2-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) 0.99 4.38 -33.24 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.99 4.57 -79.87 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(1R)-1-(2-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) 0.99 4.38 -33.36 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.99 4.56 -78.81 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3S)-3-methyl-N-[(1S)-1-(2-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) 0.99 4.38 -33.33 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.99 4.57 -78.77 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3S)-3-methyl-N-[(1R)-1-(2-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) 0.99 4.38 -33.24 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.99 4.56 -79.86 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3S)-3-propyl-N-[(1S)-1-(2-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) 1.88 5.53 -34.64 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.88 5.72 -80.25 4 4 2 60 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3R)-3-propyl-N-[(1S)-1-(2-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) 1.88 5.58 -34.46 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.88 5.75 -82.03 4 4 2 60 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3S)-3-propyl-N-[(1R)-1-(2-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) 1.88 5.55 -34.41 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.88 5.72 -81.61 4 4 2 60 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide (3R)-3-propyl-N-[(1R)-1-(2-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) 1.88 5.59 -34.84 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.88 5.76 -80.28 4 4 2 60 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-methyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-3-ethyl-N-methyl-N-(2-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) 0.68 5.2 -49.9 2 4 1 50 262.377 4 ↓
Lo Low (pH 4.5-6) 0.68 5.61 -91.01 3 4 2 51 263.385 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-methyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-3-ethyl-N-methyl-N-(2-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) 0.68 5.34 -41.36 2 4 1 50 262.377 4 ↓
Lo Low (pH 4.5-6) 0.68 5.75 -93.05 3 4 2 51 263.385 4 ↓

Analogs

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Popular Name: (3S)-N,3-dimethyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-N,3-dimethyl-N-(2-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) 0.34 4.9 -34.01 2 4 1 50 248.35 3 ↓
Lo Low (pH 4.5-6) 0.34 5.3 -80.71 3 4 2 51 249.358 3 ↓

Analogs

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Popular Name: (3R)-N,3-dimethyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-N,3-dimethyl-N-(2-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) 0.34 4.83 -36.22 2 4 1 50 248.35 3 ↓
Lo Low (pH 4.5-6) 0.34 5.25 -78.82 3 4 2 51 249.358 3 ↓

Analogs

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Popular Name: (3S)-N-methyl-3-propyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-N-methyl-3-propyl-N-(2-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) 1.24 5.97 -50.01 2 4 1 50 276.404 5 ↓
Lo Low (pH 4.5-6) 1.24 6.38 -91.48 3 4 2 51 277.412 5 ↓

Analogs

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Popular Name: (3R)-N-methyl-3-propyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-N-methyl-3-propyl-N-(2-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) 1.24 6.1 -41.44 2 4 1 50 276.404 5 ↓
Lo Low (pH 4.5-6) 1.24 6.52 -93.64 3 4 2 51 277.412 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-isopropyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-3-ethyl-N-isopropyl-N-(2-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) 1.35 6.38 -46.85 2 4 1 50 290.431 5 ↓
Lo Low (pH 4.5-6) 1.35 7.03 -85.33 3 4 2 51 291.439 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-isopropyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-3-ethyl-N-isopropyl-N-(2-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) 1.35 6.35 -41.51 2 4 1 50 290.431 5 ↓
Lo Low (pH 4.5-6) 1.35 7.01 -91.38 3 4 2 51 291.439 5 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-3-methyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-N-isopropyl-3-methyl-N-(2-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) 1.02 6.53 -36.87 2 4 1 50 276.404 4 ↓
Lo Low (pH 4.5-6) 1.02 6.46 -90.63 3 4 2 51 277.412 4 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-3-methyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-N-isopropyl-3-methyl-N-(2-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) 1.02 6.54 -35.61 2 4 1 50 276.404 4 ↓
Lo Low (pH 4.5-6) 1.02 6.71 -87.74 3 4 2 51 277.412 4 ↓

Analogs

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Popular Name: (3S)-N-(2-methoxyethyl)-3-methyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-N-(2-methoxyethyl)-3-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) 0.33 4.99 -35.44 2 5 1 59 292.403 6 ↓
Lo Low (pH 4.5-6) 0.33 5.4 -80.86 3 5 2 60 293.411 6 ↓

Analogs

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Popular Name: (3R)-N-(2-methoxyethyl)-3-methyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-N-(2-methoxyethyl)-3-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) 0.33 4.82 -37.09 2 5 1 59 292.403 6 ↓
Lo Low (pH 4.5-6) 0.33 5.24 -78.15 3 5 2 60 293.411 6 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-[(6-methyl-2-pyridyl)methyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(6-methyl-2-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) 0.82 4.28 -34.92 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 0.82 4.66 -78.08 4 4 2 60 263.385 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[(6-methyl-2-pyridyl)methyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(6-methyl-2-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) 0.82 4.33 -36.82 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 0.82 4.7 -79.25 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(6-methyl-2-pyridyl)methyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(6-methyl-2-pyr…

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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) 0.48 3.9 -35.33 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.48 4.28 -77.3 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(6-methyl-2-pyridyl)methyl]piperidine-3-carboxamide (3S)-3-methyl-N-[(6-methyl-2-pyr…

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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) 0.48 3.9 -34.28 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.48 4.28 -77.86 4 4 2 60 249.358 3 ↓

Analogs

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Popular Name: (3S)-N-[(6-methyl-2-pyridyl)methyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(6-methyl-2-pyridyl)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) 1.38 5.05 -35.23 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.38 5.42 -78.72 4 4 2 60 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(6-methyl-2-pyridyl)methyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(6-methyl-2-pyridyl)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) 1.38 5.09 -37.25 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.38 5.47 -79.99 4 4 2 60 277.412 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) 1.75 5.95 -12.97 0 7 0 72 349.431 5 ↓
Mid Mid (pH 6-8) 1.75 7.3 -32.67 1 7 1 73 350.439 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) 1.75 6.03 -13.3 0 7 0 72 349.431 5 ↓
Mid Mid (pH 6-8) 1.75 7.38 -31.31 1 7 1 73 350.439 5 ↓

Analogs

36778365
36778365
36778366
36778366
19794475
19794475

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Popular Name: (3R)-N-isopropyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-N-isopropyl-N-(2-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) 0.77 5.83 -47.29 2 4 1 50 262.377 4 ↓
Lo Low (pH 4.5-6) 0.77 6.52 -100.42 3 4 2 51 263.385 4 ↓

Analogs

36778365
36778365
36778366
36778366
19794475
19794475

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-isopropyl-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-N-isopropyl-N-(2-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) 0.77 5.68 -51.02 2 4 1 50 262.377 4 ↓
Lo Low (pH 4.5-6) 0.77 6.62 -103.21 3 4 2 51 263.385 4 ↓

Analogs

36778365
36778365
36778366
36778366
12305780
12305780

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methoxyethyl)-N-(2-pyridylmethyl)piperidine-3-carboxamide (3R)-N-(2-methoxyethyl)-N-(2-pyr…

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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) 0.08 4.45 -48.76 2 5 1 59 278.376 6 ↓
Lo Low (pH 4.5-6) 0.08 5.31 -80.05 3 5 2 60 279.384 6 ↓

Analogs

36778365
36778365
36778366
36778366
12305780
12305780

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methoxyethyl)-N-(2-pyridylmethyl)piperidine-3-carboxamide (3S)-N-(2-methoxyethyl)-N-(2-pyr…

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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) 0.08 4.68 -41.56 2 5 1 59 278.376 6 ↓
Lo Low (pH 4.5-6) 0.08 5.19 -82.89 3 5 2 60 279.384 6 ↓

Parameters Provided:

ring.id = 38150
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 = 38150 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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