3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one

C13H14F3N3O2 — CID 63602774

IUPAC3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H14F3N3O2/c1-2-9-11(20)17-5-6-19(9)12(21)8-3-4-10(18-7-8)13(14,15)16/h3-4,7,9H,2,5-6H2,1H3,(H,17,20)
InChIKeyOSZBNEOVIMVZTM-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.45
Rot. Bonds2

About 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one

3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one (PubChem CID 63602774) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
PubChem CID63602774
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H14F3N3O2/c1-2-9-11(20)17-5-6-19(9)12(21)8-3-4-10(18-7-8)13(14,15)16/h3-4,7,9H,2,5-6H2,1H3,(H,17,20)
InChIKeyOSZBNEOVIMVZTM-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one 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

3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63602039
[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 82705641
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
(3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one
CID 97026041
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2,2,2-trifluoroethyl 2-ethyl-3-oxopiperazine-1-carboxylate
CID 63661158
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one (CID 63602774) is 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is OSZBNEOVIMVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-2-9-11(20)17-5-6-19(9)12(21)8-3-4-10(18-7-8)13(14,15)16/h3-4,7,9H,2,5-6H2,1H3,(H,17,20).
What are the key properties of 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one?
3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 301.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 63602774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).