3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione

C13H13F3N2O2 — CID 64956531

IUPAC3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-2-9-12(20)18(7-11(19)17-9)10-6-4-3-5-8(10)13(14,15)16/h3-6,9H,2,7H2,1H3,(H,17,19)
InChIKeyWFRLTAPAABHXQK-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.95
Rot. Bonds2

About 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione

3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione (PubChem CID 64956531) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
PubChem CID64956531
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-2-9-12(20)18(7-11(19)17-9)10-6-4-3-5-8(10)13(14,15)16/h3-6,9H,2,7H2,1H3,(H,17,19)
InChIKeyWFRLTAPAABHXQK-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(trifluoromethyl)phenyl]-3-ethylpiperazine-2,5-dione
CID 64971404
1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
CID 64962337
1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955519
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
CID 64966592
1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione
CID 64966626
1-(5-bromo-2-iodophenyl)-3-ethylpiperazine-2,5-dione
CID 114261326
(3R)-3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 97300292
3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956470
3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one
CID 117014136
1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
CID 115379421

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione (CID 64956531) is 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione is CCC1NC(=O)CN(c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The InChIKey is WFRLTAPAABHXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-2-9-12(20)18(7-11(19)17-9)10-6-4-3-5-8(10)13(14,15)16/h3-6,9H,2,7H2,1H3,(H,17,19).
What are the key properties of 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione?
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione has a molecular weight of 286.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 64956531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).