N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide

C17H22N4O — CID 119871952

IUPACN-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CCCNC1
InChIInChI=1S/C17H22N4O/c22-17(12-5-2-8-18-10-12)19-13-6-7-14-15(9-13)21-16(20-14)11-3-1-4-11/h6-7,9,11-12,18H,1-5,8,10H2,(H,19,22)(H,20,21)
InChIKeyIQRINNPKXXQIDX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.77
Rot. Bonds3

About N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide

N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide (PubChem CID 119871952) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
PubChem CID119871952
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CCCNC1
InChIInChI=1S/C17H22N4O/c22-17(12-5-2-8-18-10-12)19-13-6-7-14-15(9-13)21-16(20-14)11-3-1-4-11/h6-7,9,11-12,18H,1-5,8,10H2,(H,19,22)(H,20,21)
InChIKeyIQRINNPKXXQIDX-UHFFFAOYSA-N
XLogP2.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 125141087
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
N-(2-methyl-1H-indol-5-yl)piperidine-3-carboxamide;hydrochloride
CID 126777358
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride
CID 119872008
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide (CID 119871952) is N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide is O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CCCNC1.
What is the InChIKey of N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide?
The InChIKey is IQRINNPKXXQIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(12-5-2-8-18-10-12)19-13-6-7-14-15(9-13)21-16(20-14)11-3-1-4-11/h6-7,9,11-12,18H,1-5,8,10H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide?
N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119871952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).