2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide

C18H24ClN5O — CID 78823487

IUPAC2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)CC1
InChIInChI=1S/C18H24ClN5O/c1-3-9-23-10-7-15(8-11-23)20-18(25)17-13(2)21-24(22-17)16-6-4-5-14(19)12-16/h4-6,12,15H,3,7-11H2,1-2H3,(H,20,25)
InChIKeyTZJAOXQPWIDMLB-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.83
Rot. Bonds5

About 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide

2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 78823487) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID78823487
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)CC1
InChIInChI=1S/C18H24ClN5O/c1-3-9-23-10-7-15(8-11-23)20-18(25)17-13(2)21-24(22-17)16-6-4-5-14(19)12-16/h4-6,12,15H,3,7-11H2,1-2H3,(H,20,25)
InChIKeyTZJAOXQPWIDMLB-UHFFFAOYSA-N
XLogP2.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 9488683
2-(3-chlorophenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 4963637
2-(3-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-methyltriazole-4-carboxamide
CID 78875640
2-(3-chlorophenyl)-N-(2-ethoxyethyl)-5-methyltriazole-4-carboxamide
CID 78903143
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide
CID 87032434
2-(3-chlorophenyl)-5-methyl-N-prop-2-ynyltriazole-4-carboxamide
CID 30601244
4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 78901049
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide (CID 78823487) is 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide is CCCN1CCC(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is TZJAOXQPWIDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-3-9-23-10-7-15(8-11-23)20-18(25)17-13(2)21-24(22-17)16-6-4-5-14(19)12-16/h4-6,12,15H,3,7-11H2,1-2H3,(H,20,25).
What are the key properties of 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 78823487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).