3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione

C12H19F3N2O2 — CID 115519279

IUPAC3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O2/c1-4-8-9(18)17(7-5-6-12(13,14)15)11(2,3)10(19)16-8/h8H,4-7H2,1-3H3,(H,16,19)
InChIKeyPJXOAVRAOGSTHZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.84
Rot. Bonds4

About 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione

3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione (PubChem CID 115519279) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
PubChem CID115519279
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O2/c1-4-8-9(18)17(7-5-6-12(13,14)15)11(2,3)10(19)16-8/h8H,4-7H2,1-3H3,(H,16,19)
InChIKeyPJXOAVRAOGSTHZ-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione 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

6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519286
3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64903586
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
CID 80696451
3-ethyl-1-(3-ethylsulfanylpropyl)-6,6-dimethylpiperazine-2,5-dione
CID 113474643
3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64903585
6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64901168
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64901859
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
3,6,6-triethyl-1-pentylpiperazine-2,5-dione
CID 64901293
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione (CID 115519279) is 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(CCCC(F)(F)F)C1=O.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The InChIKey is PJXOAVRAOGSTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-4-8-9(18)17(7-5-6-12(13,14)15)11(2,3)10(19)16-8/h8H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione has a molecular weight of 280.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione is sourced from PubChem (CID 115519279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).