3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide

C20H22N4O — CID 42934572

IUPAC3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H22N4O/c25-20(21-13-15-7-2-1-3-8-15)24-12-6-9-16(14-24)19-22-17-10-4-5-11-18(17)23-19/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,25)(H,22,23)
InChIKeyDMJZZWVMVMFEHX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.65
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide

3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide (PubChem CID 42934572) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
PubChem CID42934572
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H22N4O/c25-20(21-13-15-7-2-1-3-8-15)24-12-6-9-16(14-24)19-22-17-10-4-5-11-18(17)23-19/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,25)(H,22,23)
InChIKeyDMJZZWVMVMFEHX-UHFFFAOYSA-N
XLogP3.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
(3S)-3-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 51474217
(3R)-3-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 51474218
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 56933092
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
N-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51317520

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide (CID 42934572) is 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide?
The InChIKey is DMJZZWVMVMFEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(21-13-15-7-2-1-3-8-15)24-12-6-9-16(14-24)19-22-17-10-4-5-11-18(17)23-19/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,25)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide?
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide is sourced from PubChem (CID 42934572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).