1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide

C14H18N4O — CID 2809739

IUPAC1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cn2cnc3ccccc32)CC1
InChIInChI=1S/C14H18N4O/c15-14(19)11-5-7-17(8-6-11)10-18-9-16-12-3-1-2-4-13(12)18/h1-4,9,11H,5-8,10H2,(H2,15,19)
InChIKeyOMMSAEKYJGKWJI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.19
Rot. Bonds3

About 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide

1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide (PubChem CID 2809739) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
PubChem CID2809739
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cn2cnc3ccccc32)CC1
InChIInChI=1S/C14H18N4O/c15-14(19)11-5-7-17(8-6-11)10-18-9-16-12-3-1-2-4-13(12)18/h1-4,9,11H,5-8,10H2,(H2,15,19)
InChIKeyOMMSAEKYJGKWJI-UHFFFAOYSA-N
XLogP1.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153996
N-[1-(benzimidazol-1-ylmethyl)piperidin-4-yl]benzamide
CID 18142091
1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole
CID 18125983
1-[3-(benzimidazol-1-yl)propanoyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 110107405
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
CID 22285131
1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 42929839
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
CID 5209936
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid
CID 63918720
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide (CID 2809739) is 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide is NC(=O)C1CCN(Cn2cnc3ccccc32)CC1.
What is the InChIKey of 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide?
The InChIKey is OMMSAEKYJGKWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-14(19)11-5-7-17(8-6-11)10-18-9-16-12-3-1-2-4-13(12)18/h1-4,9,11H,5-8,10H2,(H2,15,19).
What are the key properties of 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide?
1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2809739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).