1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione

C13H14F2N2O2 — CID 64963920

IUPAC1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1cccc(F)c1F
InChIInChI=1S/C13H14F2N2O2/c1-3-9-12(18)16-7(2)13(19)17(9)10-6-4-5-8(14)11(10)15/h4-7,9H,3H2,1-2H3,(H,16,18)
InChIKeyIYNVZMHBKKFHPM-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.59
Rot. Bonds2

About 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione

1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64963920) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64963920
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1cccc(F)c1F
InChIInChI=1S/C13H14F2N2O2/c1-3-9-12(18)16-7(2)13(19)17(9)10-6-4-5-8(14)11(10)15/h4-7,9H,3H2,1-2H3,(H,16,18)
InChIKeyIYNVZMHBKKFHPM-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-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-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64963885
6-ethyl-3-methyl-1-(2,3,5-trifluorophenyl)piperazine-2,5-dione
CID 64969738
1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64963269
6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64960027
1-(5-bromo-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961128
1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64972240
6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione
CID 64965444
1-(2-bromo-4-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64962967
1-(5-chloro-2-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961373
1-(2-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958027
1-(2,6-difluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959859
1-(2,6-difluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959896

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione (CID 64963920) is 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is IYNVZMHBKKFHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-3-9-12(18)16-7(2)13(19)17(9)10-6-4-5-8(14)11(10)15/h4-7,9H,3H2,1-2H3,(H,16,18).
What are the key properties of 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64963920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).