N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

C19H24N6O3 — CID 119814008

IUPACN-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2cn(C3CCNCC3)nn2)C1=O
InChIInChI=1S/C19H24N6O3/c1-28-17-5-3-2-4-16(17)24-11-8-14(19(24)27)21-18(26)15-12-25(23-22-15)13-6-9-20-10-7-13/h2-5,12-14,20H,6-11H2,1H3,(H,21,26)
InChIKeyFZDNPGSUCBTVDN-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.75
Rot. Bonds5

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

N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119814008) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119814008
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2cn(C3CCNCC3)nn2)C1=O
InChIInChI=1S/C19H24N6O3/c1-28-17-5-3-2-4-16(17)24-11-8-14(19(24)27)21-18(26)15-12-25(23-22-15)13-6-9-20-10-7-13/h2-5,12-14,20H,6-11H2,1H3,(H,21,26)
InChIKeyFZDNPGSUCBTVDN-UHFFFAOYSA-N
XLogP0.75
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119802728
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119747043
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 102559541
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101
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
2-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
1-piperidin-4-yl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)triazole-4-carboxamide;hydrochloride
CID 119761004
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119814008) is N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is COc1ccccc1N1CCC(NC(=O)c2cn(C3CCNCC3)nn2)C1=O.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is FZDNPGSUCBTVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-28-17-5-3-2-4-16(17)24-11-8-14(19(24)27)21-18(26)15-12-25(23-22-15)13-6-9-20-10-7-13/h2-5,12-14,20H,6-11H2,1H3,(H,21,26).
What are the key properties of N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119814008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).