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

C19H25ClN6O2 — CID 119802728

IUPACN-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(N2CCC(NC(=O)c3cn(C4CCNCC4)nn3)C2=O)cc1.Cl
InChIInChI=1S/C19H24N6O2.ClH/c1-13-2-4-14(5-3-13)24-11-8-16(19(24)27)21-18(26)17-12-25(23-22-17)15-6-9-20-10-7-15;/h2-5,12,15-16,20H,6-11H2,1H3,(H,21,26);1H
InChIKeyLSHGQZQLROTBQV-UHFFFAOYSA-N
MW404.90 g/mol
LogP1.47
Rot. Bonds4

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

N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119802728) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119802728
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC NameN-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(N2CCC(NC(=O)c3cn(C4CCNCC4)nn3)C2=O)cc1.Cl
InChIInChI=1S/C19H24N6O2.ClH/c1-13-2-4-14(5-3-13)24-11-8-16(19(24)27)21-18(26)17-12-25(23-22-17)15-6-9-20-10-7-15;/h2-5,12,15-16,20H,6-11H2,1H3,(H,21,26);1H
InChIKeyLSHGQZQLROTBQV-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119814008
5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119802721
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119776444
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79523656
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119797179
2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567852
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119802728) is N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccc(N2CCC(NC(=O)c3cn(C4CCNCC4)nn3)C2=O)cc1.Cl.
What is the InChIKey of N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is LSHGQZQLROTBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2.ClH/c1-13-2-4-14(5-3-13)24-11-8-16(19(24)27)21-18(26)17-12-25(23-22-17)15-6-9-20-10-7-15;/h2-5,12,15-16,20H,6-11H2,1H3,(H,21,26);1H.
What are the key properties of N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119802728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).