(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C20H26N4OS — CID 97212512

IUPAC(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)N1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C20H26N4OS/c25-20(24-13-5-6-15(14-24)19-21-11-12-22-19)23-17-9-3-4-10-18(17)26-16-7-1-2-8-16/h3-4,9-12,15-16H,1-2,5-8,13-14H2,(H,21,22)(H,23,25)/t15-/m1/s1
InChIKeyPTGHYNYURDHKLA-OAHLLOKOSA-N
MW370.52 g/mol
LogP4.86
Rot. Bonds4

About (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 97212512) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID97212512
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)N1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C20H26N4OS/c25-20(24-13-5-6-15(14-24)19-21-11-12-22-19)23-17-9-3-4-10-18(17)26-16-7-1-2-8-16/h3-4,9-12,15-16H,1-2,5-8,13-14H2,(H,21,22)(H,23,25)/t15-/m1/s1
InChIKeyPTGHYNYURDHKLA-OAHLLOKOSA-N
XLogP4.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075791
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97318687
4-benzoyl-N-(2-cyclopentylsulfanylphenyl)-1,4-diazepane-1-carboxamide
CID 112825876
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075784
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967517
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 97212512) is (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@@H](c2ncc[nH]2)C1.
What is the InChIKey of (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is PTGHYNYURDHKLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20(24-13-5-6-15(14-24)19-21-11-12-22-19)23-17-9-3-4-10-18(17)26-16-7-1-2-8-16/h3-4,9-12,15-16H,1-2,5-8,13-14H2,(H,21,22)(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97212512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).