3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione

C12H17F3N2O2 — CID 106210991

IUPAC3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H17F3N2O2/c1-4-10(3)9(19)17(7(2)8(18)16-10)11(5-6-11)12(13,14)15/h7H,4-6H2,1-3H3,(H,16,18)
InChIKeyWTSHWCARSWILGI-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.60
Rot. Bonds2

About 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (PubChem CID 106210991) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
PubChem CID106210991
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H17F3N2O2/c1-4-10(3)9(19)17(7(2)8(18)16-10)11(5-6-11)12(13,14)15/h7H,4-6H2,1-3H3,(H,16,18)
InChIKeyWTSHWCARSWILGI-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106210939
3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210995
3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290614
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64969396
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione
CID 113486061
1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 114506189
1-(1-cyclopropylbutan-2-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64971875

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (CID 106210991) is 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(C2(C(F)(F)F)CC2)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The InChIKey is WTSHWCARSWILGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-4-10(3)9(19)17(7(2)8(18)16-10)11(5-6-11)12(13,14)15/h7H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione has a molecular weight of 278.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is sourced from PubChem (CID 106210991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).