N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H24ClN5O — CID 119815411

IUPACN-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H24ClN5O/c20-15-5-3-4-14(12-15)19(8-1-2-9-19)22-18(26)17-13-25(24-23-17)16-6-10-21-11-7-16/h3-5,12-13,16,21H,1-2,6-11H2,(H,22,26)
InChIKeyNHXUJQBAXOKHBQ-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119815411) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119815411
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H24ClN5O/c20-15-5-3-4-14(12-15)19(8-1-2-9-19)22-18(26)17-13-25(24-23-17)16-6-10-21-11-7-16/h3-5,12-13,16,21H,1-2,6-11H2,(H,22,26)
InChIKeyNHXUJQBAXOKHBQ-UHFFFAOYSA-N
XLogP3.06
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide
CID 119806404
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119697525
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide
CID 77087669
N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119773561
N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119769723
methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119701259
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283426
N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
CID 136515658
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119815411) is N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NC1(c2cccc(Cl)c2)CCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NHXUJQBAXOKHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-15-5-3-4-14(12-15)19(8-1-2-9-19)22-18(26)17-13-25(24-23-17)16-6-10-21-11-7-16/h3-5,12-13,16,21H,1-2,6-11H2,(H,22,26).
What are the key properties of N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119815411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).