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

C16H22N4O — CID 103813344

IUPAC(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C16H22N4O/c1-12-19-13-6-2-3-8-15(13)20(12)11-10-18-16(21)14-7-4-5-9-17-14/h2-3,6,8,14,17H,4-5,7,9-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyFNKVEUHQZPPDDD-AWEZNQCLSA-N
MW286.38 g/mol
LogP1.60
Rot. Bonds4

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

(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide (PubChem CID 103813344) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
PubChem CID103813344
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C16H22N4O/c1-12-19-13-6-2-3-8-15(13)20(12)11-10-18-16(21)14-7-4-5-9-17-14/h2-3,6,8,14,17H,4-5,7,9-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyFNKVEUHQZPPDDD-AWEZNQCLSA-N
XLogP1.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119835395
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
(2S,4S)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 120632096
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18120735
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 66235655
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119888858

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide (CID 103813344) is (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide is Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is FNKVEUHQZPPDDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-19-13-6-2-3-8-15(13)20(12)11-10-18-16(21)14-7-4-5-9-17-14/h2-3,6,8,14,17H,4-5,7,9-11H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide?
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 103813344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).