3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide

C16H22N4O — CID 126827644

IUPAC3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(Cn2cnc3ccccc32)C1
InChIInChI=1S/C16H22N4O/c1-2-17-16(21)19-9-5-6-13(10-19)11-20-12-18-14-7-3-4-8-15(14)20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,17,21)
InChIKeyLWIDWSHUEBCAAO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds3

About 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide

3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide (PubChem CID 126827644) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
PubChem CID126827644
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(Cn2cnc3ccccc32)C1
InChIInChI=1S/C16H22N4O/c1-2-17-16(21)19-9-5-6-13(10-19)11-20-12-18-14-7-3-4-8-15(14)20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,17,21)
InChIKeyLWIDWSHUEBCAAO-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone
CID 99797712
1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001859
N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 99786282
2-(benzimidazol-1-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125008799
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111145476
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145475
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 154863674
1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 138031162
1-[2-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
CID 138995721
N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 91904171
1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 126836065

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide (CID 126827644) is 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(Cn2cnc3ccccc32)C1.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide?
The InChIKey is LWIDWSHUEBCAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-17-16(21)19-9-5-6-13(10-19)11-20-12-18-14-7-3-4-8-15(14)20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,17,21).
What are the key properties of 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide?
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 126827644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).