(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide

C23H34N4O — CID 93015043

IUPAC(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1
InChIInChI=1S/C23H34N4O/c1-17(2)24-22(28)19-11-8-14-26(16-19)23-25-20-12-6-7-13-21(20)27(23)15-18-9-4-3-5-10-18/h6-7,12-13,17-19H,3-5,8-11,14-16H2,1-2H3,(H,24,28)/t19-/m0/s1
InChIKeyKTFSJVAJCLZABU-IBGZPJMESA-N
MW382.55 g/mol
LogP4.36
Rot. Bonds5

About (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide

(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 93015043) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID93015043
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1
InChIInChI=1S/C23H34N4O/c1-17(2)24-22(28)19-11-8-14-26(16-19)23-25-20-12-6-7-13-21(20)27(23)15-18-9-4-3-5-10-18/h6-7,12-13,17-19H,3-5,8-11,14-16H2,1-2H3,(H,24,28)/t19-/m0/s1
InChIKeyKTFSJVAJCLZABU-IBGZPJMESA-N
XLogP4.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42880141
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 42880139
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46108681
(3S)-1-(1-butylbenzimidazol-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93016409
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 46106517
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide (CID 93015043) is (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)[C@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1.
What is the InChIKey of (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is KTFSJVAJCLZABU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H34N4O/c1-17(2)24-22(28)19-11-8-14-26(16-19)23-25-20-12-6-7-13-21(20)27(23)15-18-9-4-3-5-10-18/h6-7,12-13,17-19H,3-5,8-11,14-16H2,1-2H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide?
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 93015043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).