N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide

C25H30N4O — CID 46106625

IUPACN-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2nc3ccccc3n2C2CCCC2)CC1
InChIInChI=1S/C25H30N4O/c30-24(26-18-19-8-2-1-3-9-19)20-14-16-28(17-15-20)25-27-22-12-6-7-13-23(22)29(25)21-10-4-5-11-21/h1-3,6-9,12-13,20-21H,4-5,10-11,14-18H2,(H,26,30)
InChIKeyILXJQQKVEXZKKB-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.68
Rot. Bonds5

About N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide

N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 46106625) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID46106625
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2nc3ccccc3n2C2CCCC2)CC1
InChIInChI=1S/C25H30N4O/c30-24(26-18-19-8-2-1-3-9-19)20-14-16-28(17-15-20)25-27-22-12-6-7-13-23(22)29(25)21-10-4-5-11-21/h1-3,6-9,12-13,20-21H,4-5,10-11,14-18H2,(H,26,30)
InChIKeyILXJQQKVEXZKKB-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46106647
1-(1-cyclopentylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46106622
1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 46108688
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 46106770
(3S)-1-(1-cyclohexylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 93013854
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-benzylcyclopentanecarboxamide
CID 835634
ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 46106564
[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42880144
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
N-[(3-bromophenyl)methyl]-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887020
N-benzylcyclobutanecarboxamide
CID 730128

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 46106625) is N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(c2nc3ccccc3n2C2CCCC2)CC1.
What is the InChIKey of N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ILXJQQKVEXZKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c30-24(26-18-19-8-2-1-3-9-19)20-14-16-28(17-15-20)25-27-22-12-6-7-13-23(22)29(25)21-10-4-5-11-21/h1-3,6-9,12-13,20-21H,4-5,10-11,14-18H2,(H,26,30).
What are the key properties of N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide?
N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46106625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).