N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride

C16H23ClN4O — CID 119265083

IUPACN-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCCCn1c(NC(=O)C2CCNCC2)nc2ccccc21.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-2-11-20-14-6-4-3-5-13(14)18-16(20)19-15(21)12-7-9-17-10-8-12;/h3-6,12,17H,2,7-11H2,1H3,(H,18,19,21);1H
InChIKeyXFZHNZMYVJKWHE-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.81
Rot. Bonds4

About N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride

N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119265083) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119265083
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCCCn1c(NC(=O)C2CCNCC2)nc2ccccc21.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-2-11-20-14-6-4-3-5-13(14)18-16(20)19-15(21)12-7-9-17-10-8-12;/h3-6,12,17H,2,7-11H2,1H3,(H,18,19,21);1H
InChIKeyXFZHNZMYVJKWHE-UHFFFAOYSA-N
XLogP2.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119265093
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804
1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide
CID 75401929
(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 136580553
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770793
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010

Frequently Asked Questions

What is the IUPAC name of N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride (CID 119265083) is N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride is CCCn1c(NC(=O)C2CCNCC2)nc2ccccc21.Cl.
What is the InChIKey of N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is XFZHNZMYVJKWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-2-11-20-14-6-4-3-5-13(14)18-16(20)19-15(21)12-7-9-17-10-8-12;/h3-6,12,17H,2,7-11H2,1H3,(H,18,19,21);1H.
What are the key properties of N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride?
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119265083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).