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

C13H13F3N2O2 — CID 64881381

IUPAC3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
SMILESCC1NC(=O)CN(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-8-12(20)18(7-11(19)17-8)6-9-3-2-4-10(5-9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,19)
InChIKeyPSXFQZLTBMTWEV-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.55
Rot. Bonds2

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

3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione (PubChem CID 64881381) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
PubChem CID64881381
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
SMILESCC1NC(=O)CN(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-8-12(20)18(7-11(19)17-8)6-9-3-2-4-10(5-9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,19)
InChIKeyPSXFQZLTBMTWEV-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]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

1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64884561
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 112708064
3-tert-butyl-1-[(3-fluorophenyl)methyl]piperazine-2,5-dione
CID 64880761
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 176730709
7-[[3-(trifluoromethyl)phenyl]methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 4910947
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
3-tert-butyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64880959
1-methyl-4-phenyl-6-[[3-(trifluoromethyl)phenyl]methyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42796629
1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64881311
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 47004139
1-[(2,3-difluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880729
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione (CID 64881381) is 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione is CC1NC(=O)CN(Cc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione?
The InChIKey is PSXFQZLTBMTWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-8-12(20)18(7-11(19)17-8)6-9-3-2-4-10(5-9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,19).
What are the key properties of 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione?
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione has a molecular weight of 286.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione is sourced from PubChem (CID 64881381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).