N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H25ClN6O2 — CID 119724501

IUPACN-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(N2CCCCC2=O)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H24N6O2.ClH/c26-18-6-1-2-11-24(18)16-5-3-4-14(12-16)21-19(27)17-13-25(23-22-17)15-7-9-20-10-8-15;/h3-5,12-13,15,20H,1-2,6-11H2,(H,21,27);1H
InChIKeyKPWQVRHBJLCZJD-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.39
Rot. Bonds4

About N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119724501) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119724501
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC NameN-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(N2CCCCC2=O)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H24N6O2.ClH/c26-18-6-1-2-11-24(18)16-5-3-4-14(12-16)21-19(27)17-13-25(23-22-17)15-7-9-20-10-8-15;/h3-5,12-13,15,20H,1-2,6-11H2,(H,21,27);1H
InChIKeyKPWQVRHBJLCZJD-UHFFFAOYSA-N
XLogP2.39
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

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CID 119708561
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CID 119883333
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CID 119399827
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119724501) is N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(N2CCCCC2=O)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is KPWQVRHBJLCZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2.ClH/c26-18-6-1-2-11-24(18)16-5-3-4-14(12-16)21-19(27)17-13-25(23-22-17)15-7-9-20-10-8-15;/h3-5,12-13,15,20H,1-2,6-11H2,(H,21,27);1H.
What are the key properties of N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119724501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).