N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C18H24ClN5O — CID 119716504

IUPACN-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(NC(=O)c1nnn(C2CCNCC2)c1C)c1cccc(Cl)c1
InChIInChI=1S/C18H24ClN5O/c1-3-16(13-5-4-6-14(19)11-13)21-18(25)17-12(2)24(23-22-17)15-7-9-20-10-8-15/h4-6,11,15-16,20H,3,7-10H2,1-2H3,(H,21,25)
InChIKeyIQURXCNFSVBBKU-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.05
Rot. Bonds5

About N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119716504) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119716504
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(NC(=O)c1nnn(C2CCNCC2)c1C)c1cccc(Cl)c1
InChIInChI=1S/C18H24ClN5O/c1-3-16(13-5-4-6-14(19)11-13)21-18(25)17-12(2)24(23-22-17)15-7-9-20-10-8-15/h4-6,11,15-16,20H,3,7-10H2,1-2H3,(H,21,25)
InChIKeyIQURXCNFSVBBKU-UHFFFAOYSA-N
XLogP3.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)-3-methylbutyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119799876
N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119745534
N-[2-(3-chlorophenoxy)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119807099
5-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851514
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119689369
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119810301
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119689368
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692408
5-methyl-N-(2-methyl-2-phenylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119801261
5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900380
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119899491

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119716504) is N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCC(NC(=O)c1nnn(C2CCNCC2)c1C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is IQURXCNFSVBBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-3-16(13-5-4-6-14(19)11-13)21-18(25)17-12(2)24(23-22-17)15-7-9-20-10-8-15/h4-6,11,15-16,20H,3,7-10H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119716504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).