N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H25ClN6O2 — CID 119776444

IUPACN-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cn(C2CCNCC2)nn1)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H24N6O2.ClH/c1-23(17-9-12-24(19(17)27)14-5-3-2-4-6-14)18(26)16-13-25(22-21-16)15-7-10-20-11-8-15;/h2-6,13,15,17,20H,7-12H2,1H3;1H
InChIKeyAJICAIOWTNFTEP-UHFFFAOYSA-N
MW404.90 g/mol
LogP1.50
Rot. Bonds4

About N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119776444) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119776444
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC NameN-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cn(C2CCNCC2)nn1)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H24N6O2.ClH/c1-23(17-9-12-24(19(17)27)14-5-3-2-4-6-14)18(26)16-13-25(22-21-16)15-7-10-20-11-8-15;/h2-6,13,15,17,20H,7-12H2,1H3;1H
InChIKeyAJICAIOWTNFTEP-UHFFFAOYSA-N
XLogP1.50
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852
N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119802728
N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 95618514
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681238
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119886851
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119695557

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119776444) is N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CN(C(=O)c1cn(C2CCNCC2)nn1)C1CCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is AJICAIOWTNFTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2.ClH/c1-23(17-9-12-24(19(17)27)14-5-3-2-4-6-14)18(26)16-13-25(22-21-16)15-7-10-20-11-8-15;/h2-6,13,15,17,20H,7-12H2,1H3;1H.
What are the key properties of N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119776444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).