5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide

C17H20FN5O2 — CID 154833274

IUPAC5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NC2C(=O)NCCC2C)nn1-c1ccccc1F
InChIInChI=1S/C17H20FN5O2/c1-3-13-20-15(22-23(13)12-7-5-4-6-11(12)18)17(25)21-14-10(2)8-9-19-16(14)24/h4-7,10,14H,3,8-9H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyOWIRZCVFOJVDQJ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.22
Rot. Bonds4

About 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide

5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 154833274) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide
PubChem CID154833274
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NC2C(=O)NCCC2C)nn1-c1ccccc1F
InChIInChI=1S/C17H20FN5O2/c1-3-13-20-15(22-23(13)12-7-5-4-6-11(12)18)17(25)21-14-10(2)8-9-19-16(14)24/h4-7,10,14H,3,8-9H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyOWIRZCVFOJVDQJ-UHFFFAOYSA-N
XLogP1.22
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-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

5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120947490
2-[[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazole-3-carbonyl]amino]propanoic acid
CID 119348935
[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879135
1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
CID 71934956
1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120556336
1-(2-fluorophenyl)-N-(3-hydroxybutyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 111462985
1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 126792874
1-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 129402976
1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide
CID 111428960
1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119557786
N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 126782629
3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71269064

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide (CID 154833274) is 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NC2C(=O)NCCC2C)nn1-c1ccccc1F.
What is the InChIKey of 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is OWIRZCVFOJVDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-3-13-20-15(22-23(13)12-7-5-4-6-11(12)18)17(25)21-14-10(2)8-9-19-16(14)24/h4-7,10,14H,3,8-9H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide?
5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 154833274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).