N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide

C16H22N4O — CID 119889969

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1nc2ccccc2n1C
InChIInChI=1S/C16H22N4O/c1-11(18-16(21)12-6-5-9-17-10-12)15-19-13-7-3-4-8-14(13)20(15)2/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyQOAJVECGMGHBDH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.75
Rot. Bonds3

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide

N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 119889969) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID119889969
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1nc2ccccc2n1C
InChIInChI=1S/C16H22N4O/c1-11(18-16(21)12-6-5-9-17-10-12)15-19-13-7-3-4-8-14(13)20(15)2/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyQOAJVECGMGHBDH-UHFFFAOYSA-N
XLogP1.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119890016
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119890737
N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 126772083
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 43706301
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
CID 175719155
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide (CID 119889969) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCNC1)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is QOAJVECGMGHBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(18-16(21)12-6-5-9-17-10-12)15-19-13-7-3-4-8-14(13)20(15)2/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119889969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).