5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide

C19H25N5O2 — CID 55881868

IUPAC5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCCC(=O)N3CCCCC3)c2C)c1
InChIInChI=1S/C19H25N5O2/c1-14-7-6-8-16(13-14)24-15(2)18(21-22-24)19(26)20-10-9-17(25)23-11-4-3-5-12-23/h6-8,13H,3-5,9-12H2,1-2H3,(H,20,26)
InChIKeyFXUNHLAFMPIJFC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.02
Rot. Bonds5

About 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide (PubChem CID 55881868) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
PubChem CID55881868
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCCC(=O)N3CCCCC3)c2C)c1
InChIInChI=1S/C19H25N5O2/c1-14-7-6-8-16(13-14)24-15(2)18(21-22-24)19(26)20-10-9-17(25)23-11-4-3-5-12-23/h6-8,13H,3-5,9-12H2,1-2H3,(H,20,26)
InChIKeyFXUNHLAFMPIJFC-UHFFFAOYSA-N
XLogP2.02
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 56573213
5-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 55854731
1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120539004
5-methyl-1-(3-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)triazole-4-carboxamide
CID 55886109
1-(3-chlorophenyl)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-5-methyltriazole-4-carboxamide
CID 86938702
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119490412
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55894881
5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide
CID 56585569
1-(4-bromo-3-methylphenyl)-5-methyl-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 46858193
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
(2R)-3-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119368322
(E)-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]hex-4-enoic acid
CID 120693785

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide (CID 55881868) is 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCCC(=O)N3CCCCC3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide?
The InChIKey is FXUNHLAFMPIJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-7-6-8-16(13-14)24-15(2)18(21-22-24)19(26)20-10-9-17(25)23-11-4-3-5-12-23/h6-8,13H,3-5,9-12H2,1-2H3,(H,20,26).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 55881868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).