(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide

C23H34N2O2 — CID 93328301

IUPAC(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1
InChIInChI=1S/C23H34N2O2/c1-4-17(3)24-22(26)20-12-13-21(19-11-7-8-16(2)14-19)25(15-20)23(27)18-9-5-6-10-18/h7-8,11,14,17-18,20-21H,4-6,9-10,12-13,15H2,1-3H3,(H,24,26)/t17-,20-,21+/m0/s1
InChIKeyOTBRVASTEVMMTF-DZFGPLHGSA-N
MW370.54 g/mol
LogP4.38
Rot. Bonds5

About (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide

(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 93328301) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID93328301
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1
InChIInChI=1S/C23H34N2O2/c1-4-17(3)24-22(26)20-12-13-21(19-11-7-8-16(2)14-19)25(15-20)23(27)18-9-5-6-10-18/h7-8,11,14,17-18,20-21H,4-6,9-10,12-13,15H2,1-3H3,(H,24,26)/t17-,20-,21+/m0/s1
InChIKeyOTBRVASTEVMMTF-DZFGPLHGSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-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

(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopropanecarbonyl)-6-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92995078
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868383
1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849427
(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 92998904
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 93328379
6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42849641
(3R,6S)-3-N-[(2S)-butan-2-yl]-1-N-ethyl-6-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 100900934
(2R)-N-(3-methylbutyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076879

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide (CID 93328301) is (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide is CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1.
What is the InChIKey of (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is OTBRVASTEVMMTF-DZFGPLHGSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-17(3)24-22(26)20-12-13-21(19-11-7-8-16(2)14-19)25(15-20)23(27)18-9-5-6-10-18/h7-8,11,14,17-18,20-21H,4-6,9-10,12-13,15H2,1-3H3,(H,24,26)/t17-,20-,21+/m0/s1.
What are the key properties of (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93328301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).