N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide

C14H16N4O2 — CID 47154418

IUPACN-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C14H16N4O2/c1-18-7-6-9(8-12(18)19)13(20)17-14-15-10-4-2-3-5-11(10)16-14/h2-5,9H,6-8H2,1H3,(H2,15,16,17,20)
InChIKeyNYYRSMJBBJEORV-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.37
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide

N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 47154418) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID47154418
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C14H16N4O2/c1-18-7-6-9(8-12(18)19)13(20)17-14-15-10-4-2-3-5-11(10)16-14/h2-5,9H,6-8H2,1H3,(H2,15,16,17,20)
InChIKeyNYYRSMJBBJEORV-UHFFFAOYSA-N
XLogP1.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1H-benzimidazol-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40633944
(3S)-N-(1H-benzimidazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234783
N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 146124527
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
N-(1H-benzimidazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4794813
(3R)-N-(1H-benzimidazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40620890
N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17409393
(3S)-N-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42536564
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide (CID 47154418) is N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1=O.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is NYYRSMJBBJEORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-7-6-9(8-12(18)19)13(20)17-14-15-10-4-2-3-5-11(10)16-14/h2-5,9H,6-8H2,1H3,(H2,15,16,17,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide?
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 47154418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).