3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide

C20H22N4O — CID 44754575

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C20H22N4O/c1-14-6-4-8-16(12-14)21-20(25)24-11-5-7-15(13-24)19-22-17-9-2-3-10-18(17)23-19/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyBBNKFWDIAMLEOO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.28
Rot. Bonds2

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

3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 44754575) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID44754575
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C20H22N4O/c1-14-6-4-8-16(12-14)21-20(25)24-11-5-7-15(13-24)19-22-17-9-2-3-10-18(17)23-19/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyBBNKFWDIAMLEOO-UHFFFAOYSA-N
XLogP4.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide
CID 55697774
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 55696056
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 70769742
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 47041579
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
CID 91946798
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 44754575) is 3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is BBNKFWDIAMLEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-6-4-8-16(12-14)21-20(25)24-11-5-7-15(13-24)19-22-17-9-2-3-10-18(17)23-19/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.28, 2 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-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44754575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).