UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12859497
12859497
12859505
12859505

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Popular Name: (3R)-N-benzyl-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-benzyl-N-methyl-1-(thioph…

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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) 2.80 9.23 -10.26 0 4 0 41 342.464 4 ↓

Analogs

12859497
12859497
12859505
12859505

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Popular Name: (3S)-N-benzyl-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-benzyl-N-methyl-1-(thioph…

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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) 2.80 9.25 -10.41 0 4 0 41 342.464 4 ↓

Analogs

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Popular Name: (3R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(2,3-dichlorophenyl)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) 4.06 9.98 -10.25 0 4 0 41 411.354 4 ↓

Analogs

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Popular Name: (3S)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(2,3-dichlorophenyl)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) 4.06 9.86 -9.61 0 4 0 41 411.354 4 ↓

Analogs

13018004
13018004
13018006
13018006

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Popular Name: (3R)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(2-chlorophenyl)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) 3.43 9.58 -10.43 0 4 0 41 376.909 4 ↓

Analogs

13018004
13018004
13018006
13018006

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Popular Name: (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(2-chlorophenyl)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) 3.43 10.26 -10.59 0 4 0 41 376.909 4 ↓

Analogs

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Popular Name: (3R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(3,4-dimethoxyphenyl)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) 2.44 8.46 -13.59 0 6 0 59 402.516 6 ↓

Analogs

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Popular Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(3,4-dimethoxyphenyl)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) 2.44 8.48 -14.24 0 6 0 59 402.516 6 ↓

Analogs

36723048
36723048
36723050
36723050

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Popular Name: (3R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(2,4-dimethoxyphenyl)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) 2.84 8.02 -11.34 0 6 0 59 402.516 6 ↓

Analogs

36723048
36723048
36723050
36723050

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Popular Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(2,4-dimethoxyphenyl)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) 2.84 8.04 -11.37 0 6 0 59 402.516 6 ↓

Analogs

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Popular Name: (3R)-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(5-bromo-2-methoxy-pheny…

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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) 3.59 9.4 -11.01 0 5 0 50 451.386 5 ↓

Analogs

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Popular Name: (3S)-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(5-bromo-2-methoxy-pheny…

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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) 3.59 9.4 -10.72 0 5 0 50 451.386 5 ↓

Analogs

36723048
36723048
36723050
36723050

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Popular Name: (3R)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(2,3-dimethoxyphenyl)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) 2.62 8.56 -12.18 0 6 0 59 402.516 6 ↓

Analogs

36723048
36723048
36723050
36723050

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(2,3-dimethoxyphenyl)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) 2.62 8.64 -11.88 0 6 0 59 402.516 6 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-methyl-N-[(4-methylsulfan…

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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 10.2 -11.14 0 4 0 41 388.558 5 ↓

Analogs

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Popular Name: (3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-methyl-N-[(4-methylsulfan…

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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 10.26 -11.37 0 4 0 41 388.558 5 ↓

Analogs

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Popular Name: (3R)-N-[(3-chlorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(3-chlorophenyl)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) 3.45 9.82 -10.01 0 4 0 41 376.909 4 ↓

Analogs

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Popular Name: (3S)-N-[(3-chlorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(3-chlorophenyl)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) 3.45 9.76 -11.35 0 4 0 41 376.909 4 ↓

Analogs

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Popular Name: (3R)-N-[(4-fluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(4-fluorophenyl)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) 2.96 9.29 -10.66 0 4 0 41 360.454 4 ↓

Analogs

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Popular Name: (3S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(4-fluorophenyl)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) 2.96 9.32 -10.67 0 4 0 41 360.454 4 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(1R)-1-(2-fluorophenyl)e…

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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 8.3 -12.78 1 4 0 49 360.454 4 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(1S)-1-(2-fluorophenyl)e…

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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 8.34 -12.92 1 4 0 49 360.454 4 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(1R)-1-(2-fluorophenyl)e…

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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 8.34 -12.85 1 4 0 49 360.454 4 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(1S)-1-(2-fluorophenyl)e…

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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 8.34 -12.83 1 4 0 49 360.454 4 ↓

Analogs

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Popular Name: (3R)-1-(thiophene-2-carbonyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (3R)-1-(thiophene-2-carbonyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 9.19 -12.15 1 4 0 49 410.461 5 ↓

Analogs

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Popular Name: (3R)-1-(thiophene-2-carbonyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (3R)-1-(thiophene-2-carbonyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 9.21 -12.05 1 4 0 49 410.461 5 ↓

Analogs

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Popular Name: (3S)-1-(thiophene-2-carbonyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (3S)-1-(thiophene-2-carbonyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 9.27 -12.1 1 4 0 49 410.461 5 ↓

Analogs

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Popular Name: (3S)-1-(thiophene-2-carbonyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (3S)-1-(thiophene-2-carbonyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 9.27 -12.27 1 4 0 49 410.461 5 ↓

Analogs

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Popular Name: (3R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(2-methoxyphenyl)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) 2.81 8.79 -10.76 0 5 0 50 372.49 5 ↓

Analogs

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Popular Name: (3S)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(2-methoxyphenyl)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) 2.81 8.73 -10.62 0 5 0 50 372.49 5 ↓

Analogs

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Popular Name: (3R)-N-[(4-tert-butylphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(4-tert-butylphenyl)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) 4.50 11.56 -10.06 0 4 0 41 398.572 5 ↓

Analogs

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Popular Name: (3S)-N-[(4-tert-butylphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(4-tert-butylphenyl)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) 4.50 11.57 -10.11 0 4 0 41 398.572 5 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-(p-tolylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-methyl-N-(p-tolylmethyl)-…

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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) 3.25 9.9 -10.36 0 4 0 41 356.491 4 ↓

Analogs

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Popular Name: (3S)-N-methyl-N-(p-tolylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-methyl-N-(p-tolylmethyl)-…

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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) 3.25 9.91 -10.47 0 4 0 41 356.491 4 ↓

Analogs

39636895
39636895
39636896
39636896

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Popular Name: (3R)-1-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (3R)-1-(thiophene-2-carbonyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 8.35 -11.84 1 4 0 49 396.434 5 ↓

Analogs

39636895
39636895
39636896
39636896

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Popular Name: (3S)-1-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (3S)-1-(thiophene-2-carbonyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 8.36 -11.82 1 4 0 49 396.434 5 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-(3,4-dipropoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(1R)-1-(3,4-dipropoxyphe…

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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) 4.51 10.86 -13.71 1 6 0 68 458.624 10 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(1S)-1-(3,4-dipropoxyphe…

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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) 4.51 10.85 -13.66 1 6 0 68 458.624 10 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-(3,4-dipropoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(1R)-1-(3,4-dipropoxyphe…

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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) 4.51 10.94 -13.65 1 6 0 68 458.624 10 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(1S)-1-(3,4-dipropoxyphe…

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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) 4.51 10.94 -13.89 1 6 0 68 458.624 10 ↓

Analogs

30894194
30894194
30894197
30894197
30894200
30894200
30894203
30894203

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Popular Name: (3R)-N-[(1R)-1-phenylbutyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(1R)-1-phenylbutyl]-1-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 9.61 -10.04 1 4 0 49 370.518 6 ↓

Analogs

30894194
30894194
30894197
30894197
30894200
30894200
30894203
30894203

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-phenylbutyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(1S)-1-phenylbutyl]-1-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 9.57 -9.91 1 4 0 49 370.518 6 ↓

Analogs

30894194
30894194
30894197
30894197
30894200
30894200
30894203
30894203

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-phenylbutyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(1R)-1-phenylbutyl]-1-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 9.66 -9.85 1 4 0 49 370.518 6 ↓

Analogs

30894194
30894194
30894197
30894197
30894200
30894200
30894203
30894203

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-phenylbutyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(1S)-1-phenylbutyl]-1-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 9.65 -10.03 1 4 0 49 370.518 6 ↓

Analogs

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Popular Name: (3R)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(3-fluoro-4-methoxy-phen…

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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) 2.95 8.7 -12.89 0 5 0 50 390.48 5 ↓

Analogs

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Popular Name: (3S)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(3-fluoro-4-methoxy-phen…

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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) 2.95 8.64 -15.06 0 5 0 50 390.48 5 ↓

Analogs

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Popular Name: (3R)-N-[(4-dimethylaminophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[(4-dimethylaminophenyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 9.61 -11.18 0 5 0 44 385.533 5 ↓

Analogs

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Popular Name: (3S)-N-[(4-dimethylaminophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[(4-dimethylaminophenyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 9.63 -11.28 0 5 0 44 385.533 5 ↓

Analogs

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Popular Name: (3R)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[[2-(dimethylaminomethyl)…

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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) 2.31 10.53 -39.02 2 5 1 54 386.541 6 ↓

Analogs

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Popular Name: (3S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[[2-(dimethylaminomethyl)…

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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) 2.31 10.47 -37.61 2 5 1 54 386.541 6 ↓

Parameters Provided:

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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 = 132532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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