4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one

C15H19FN2O2 — CID 110428483

IUPAC4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESCC(C)(C)C(=O)N1CCNC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)14(20)18-9-8-17-13(19)12(18)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,19)
InChIKeyVZFJXYZUBBZHRQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.87
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one

4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 110428483) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
PubChem CID110428483
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESCC(C)(C)C(=O)N1CCNC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)14(20)18-9-8-17-13(19)12(18)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,19)
InChIKeyVZFJXYZUBBZHRQ-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one 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-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one (CID 110428483) is 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one is CC(C)(C)C(=O)N1CCNC(=O)C1c1ccc(F)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is VZFJXYZUBBZHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2,3)14(20)18-9-8-17-13(19)12(18)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one?
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110428483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).