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

C20H26N6O2 — CID 119802721

IUPAC5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)c3nnn(C4CCNCC4)c3C)C2=O)cc1
InChIInChI=1S/C20H26N6O2/c1-13-3-5-15(6-4-13)25-12-9-17(20(25)28)22-19(27)18-14(2)26(24-23-18)16-7-10-21-11-8-16/h3-6,16-17,21H,7-12H2,1-2H3,(H,22,27)
InChIKeyYHHHCSIKSWZDOD-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.35
Rot. Bonds4

About 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119802721) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119802721
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)c3nnn(C4CCNCC4)c3C)C2=O)cc1
InChIInChI=1S/C20H26N6O2/c1-13-3-5-15(6-4-13)25-12-9-17(20(25)28)22-19(27)18-14(2)26(24-23-18)16-7-10-21-11-8-16/h3-6,16-17,21H,7-12H2,1-2H3,(H,22,27)
InChIKeyYHHHCSIKSWZDOD-UHFFFAOYSA-N
XLogP1.35
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119802728
5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124691466
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
5-methyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124689134
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 102553434
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746646
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119899491
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119802721) is 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1ccc(N2CCC(NC(=O)c3nnn(C4CCNCC4)c3C)C2=O)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is YHHHCSIKSWZDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-13-3-5-15(6-4-13)25-12-9-17(20(25)28)22-19(27)18-14(2)26(24-23-18)16-7-10-21-11-8-16/h3-6,16-17,21H,7-12H2,1-2H3,(H,22,27).
What are the key properties of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119802721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).