1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione

C13H14N2O3 — CID 117367551

IUPAC1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione
SMILESCC(=O)Cc1ccc(N2CC(=O)NCC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-9(16)6-10-2-4-11(5-3-10)15-8-12(17)14-7-13(15)18/h2-5H,6-8H2,1H3,(H,14,17)
InChIKeyGROOXPCMIJEKRB-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.28
Rot. Bonds3

About 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione

1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione (PubChem CID 117367551) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione
PubChem CID117367551
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione
SMILESCC(=O)Cc1ccc(N2CC(=O)NCC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-9(16)6-10-2-4-11(5-3-10)15-8-12(17)14-7-13(15)18/h2-5H,6-8H2,1H3,(H,14,17)
InChIKeyGROOXPCMIJEKRB-UHFFFAOYSA-N
XLogP0.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-oxopropyl)phenyl]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-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
1-[4-[2-(methylamino)acetyl]phenyl]piperazine-2,5-dione
CID 117407059
1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione
CID 64955695
1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
CID 64955126
1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione
CID 117370686
1-(2-acetylphenyl)piperazine-2,5-dione
CID 84695483
1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione
CID 117436005
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
1-(3-amino-4-methylphenyl)piperazine-2,5-dione
CID 82512730
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-2-one
CID 146002630
1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
CID 82513383
1-(3-amino-4-fluorophenyl)piperazine-2,5-dione
CID 82512820

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione (CID 117367551) is 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione is CC(=O)Cc1ccc(N2CC(=O)NCC2=O)cc1.
What is the InChIKey of 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione?
The InChIKey is GROOXPCMIJEKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(16)6-10-2-4-11(5-3-10)15-8-12(17)14-7-13(15)18/h2-5H,6-8H2,1H3,(H,14,17).
What are the key properties of 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione?
1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione has a molecular weight of 246.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117367551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).