(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide

C24H29FN4O — CID 93015032

IUPAC(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)Cn1c(N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C24H29FN4O/c1-17(2)15-29-22-8-4-3-7-21(22)27-24(29)28-13-5-6-19(16-28)23(30)26-14-18-9-11-20(25)12-10-18/h3-4,7-12,17,19H,5-6,13-16H2,1-2H3,(H,26,30)/t19-/m0/s1
InChIKeyRALXOGMHZNTLOO-IBGZPJMESA-N
MW408.52 g/mol
LogP4.36
Rot. Bonds6

About (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide

(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide (PubChem CID 93015032) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
PubChem CID93015032
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)Cn1c(N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C24H29FN4O/c1-17(2)15-29-22-8-4-3-7-21(22)27-24(29)28-13-5-6-19(16-28)23(30)26-14-18-9-11-20(25)12-10-18/h3-4,7-12,17,19H,5-6,13-16H2,1-2H3,(H,26,30)/t19-/m0/s1
InChIKeyRALXOGMHZNTLOO-IBGZPJMESA-N
XLogP4.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46108668
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-(1-cyclopentylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46106647
N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070369
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93015043
1-(1-ethylbenzimidazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46959589

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide (CID 93015032) is (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide is CC(C)Cn1c(N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide?
The InChIKey is RALXOGMHZNTLOO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29FN4O/c1-17(2)15-29-22-8-4-3-7-21(22)27-24(29)28-13-5-6-19(16-28)23(30)26-14-18-9-11-20(25)12-10-18/h3-4,7-12,17,19H,5-6,13-16H2,1-2H3,(H,26,30)/t19-/m0/s1.
What are the key properties of (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide?
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93015032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).