1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione

C13H15FN2O2 — CID 64960006

IUPAC1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCc1ccc(F)c(N2CC(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C13H15FN2O2/c1-8-4-5-9(14)10(6-8)16-7-11(17)15-13(2,3)12(16)18/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyGBCSETOLNLRCDU-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.38
Rot. Bonds1

About 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione

1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64960006) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64960006
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCc1ccc(F)c(N2CC(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C13H15FN2O2/c1-8-4-5-9(14)10(6-8)16-7-11(17)15-13(2,3)12(16)18/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyGBCSETOLNLRCDU-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione (CID 64960006) is 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione is Cc1ccc(F)c(N2CC(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is GBCSETOLNLRCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-4-5-9(14)10(6-8)16-7-11(17)15-13(2,3)12(16)18/h4-6H,7H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 250.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64960006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).