4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione

C13H13FN2O3 — CID 66062919

IUPAC4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione
SMILESCC(=O)c1ccc(N2CC(=O)NC(=O)C2C)c(F)c1
InChIInChI=1S/C13H13FN2O3/c1-7-13(19)15-12(18)6-16(7)11-4-3-9(8(2)17)5-10(11)14/h3-5,7H,6H2,1-2H3,(H,15,18,19)
InChIKeyIZLTZGZXOHDMSR-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.88
Rot. Bonds2

About 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione

4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione (PubChem CID 66062919) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione
PubChem CID66062919
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione
SMILESCC(=O)c1ccc(N2CC(=O)NC(=O)C2C)c(F)c1
InChIInChI=1S/C13H13FN2O3/c1-7-13(19)15-12(18)6-16(7)11-4-3-9(8(2)17)5-10(11)14/h3-5,7H,6H2,1-2H3,(H,15,18,19)
InChIKeyIZLTZGZXOHDMSR-UHFFFAOYSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione (CID 66062919) is 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione is CC(=O)c1ccc(N2CC(=O)NC(=O)C2C)c(F)c1.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione?
The InChIKey is IZLTZGZXOHDMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-7-13(19)15-12(18)6-16(7)11-4-3-9(8(2)17)5-10(11)14/h3-5,7H,6H2,1-2H3,(H,15,18,19).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione?
4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione has a molecular weight of 264.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).