2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide

C17H20ClN5O2 — CID 78901049

IUPAC2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)nc1C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C17H20ClN5O2/c1-12-16(21-23(20-12)14-7-5-6-13(18)10-14)17(25)19-11-15(24)22-8-3-2-4-9-22/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,25)
InChIKeyWBPHCNCGWRGVOA-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.97
Rot. Bonds4

About 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide

2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide (PubChem CID 78901049) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide
PubChem CID78901049
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)nc1C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C17H20ClN5O2/c1-12-16(21-23(20-12)14-7-5-6-13(18)10-14)17(25)19-11-15(24)22-8-3-2-4-9-22/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,25)
InChIKeyWBPHCNCGWRGVOA-UHFFFAOYSA-N
XLogP1.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azocan-1-yl)-2-oxoethyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 9490621
2-(3-chlorophenyl)-5-methyl-N-prop-2-ynyltriazole-4-carboxamide
CID 30601244
2-[4-[2-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858900
2-(3-chlorophenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 4963637
2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 9455454
1-[4-[2-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 78827860
2-(3-chlorophenyl)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-5-methyltriazole-4-carboxamide
CID 86938752
2-(3-chlorophenyl)-N-(2-ethoxyethyl)-5-methyltriazole-4-carboxamide
CID 78903143
2-(3-chlorophenyl)-5-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 9361926
2-(3-chlorophenyl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methyltriazole-4-carboxamide
CID 51648227
2-(3-chlorophenyl)-5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]triazole-4-carboxamide
CID 26955251
2-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 78867509

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide (CID 78901049) is 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide is Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is WBPHCNCGWRGVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-12-16(21-23(20-12)14-7-5-6-13(18)10-14)17(25)19-11-15(24)22-8-3-2-4-9-22/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,25).
What are the key properties of 2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide?
2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 1.97, 4 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-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 78901049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).