1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide

C18H24ClN5O — CID 25295269

IUPAC1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C18H24ClN5O/c1-2-9-23-10-7-16(8-11-23)20-18(25)17-13-24(22-21-17)12-14-3-5-15(19)6-4-14/h3-6,13,16H,2,7-12H2,1H3,(H,20,25)
InChIKeyHAPZZHDHITXFKM-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.58
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 25295269) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID25295269
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C18H24ClN5O/c1-2-9-23-10-7-16(8-11-23)20-18(25)17-13-24(22-21-17)12-14-3-5-15(19)6-4-14/h3-6,13,16H,2,7-12H2,1H3,(H,20,25)
InChIKeyHAPZZHDHITXFKM-UHFFFAOYSA-N
XLogP2.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 42403773
1-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]-N-cyclopentyltriazole-4-carboxamide
CID 171144200
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
CID 154805457
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369393
1-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide
CID 6488121
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide (CID 25295269) is 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide is CCCN1CCC(NC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is HAPZZHDHITXFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-2-9-23-10-7-16(8-11-23)20-18(25)17-13-24(22-21-17)12-14-3-5-15(19)6-4-14/h3-6,13,16H,2,7-12H2,1H3,(H,20,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 25295269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).