1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione

C13H14F2N2O2 — CID 64959883

IUPAC1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-7(2)11-13(19)17(6-10(18)16-11)12-8(14)4-3-5-9(12)15/h3-5,7,11H,6H2,1-2H3,(H,16,18)
InChIKeyIQSPSVVVEHIWMB-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.45
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione

1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64959883) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64959883
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-7(2)11-13(19)17(6-10(18)16-11)12-8(14)4-3-5-9(12)15/h3-5,7,11H,6H2,1-2H3,(H,16,18)
InChIKeyIQSPSVVVEHIWMB-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-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

3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64960024
1-(2-chloro-6-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 66255310
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-(2,4-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957903
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64959895
1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959453
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962438
1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957960
1-(4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962699
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966045
1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961924

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64959883) is 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(c2c(F)cccc2F)C1=O.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IQSPSVVVEHIWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-7(2)11-13(19)17(6-10(18)16-11)12-8(14)4-3-5-9(12)15/h3-5,7,11H,6H2,1-2H3,(H,16,18).
What are the key properties of 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64959883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).