4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one

C13H14F2N2O2 — CID 63362058

IUPAC4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2O2/c1-13(2)12(19)16-5-6-17(13)11(18)8-3-4-9(14)10(15)7-8/h3-4,7H,5-6H2,1-2H3,(H,16,19)
InChIKeyHXRQBLYJOHHOPD-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.32
Rot. Bonds1

About 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one

4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63362058) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63362058
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2O2/c1-13(2)12(19)16-5-6-17(13)11(18)8-3-4-9(14)10(15)7-8/h3-4,7H,5-6H2,1-2H3,(H,16,19)
InChIKeyHXRQBLYJOHHOPD-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-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-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one (CID 63362058) is 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is HXRQBLYJOHHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-13(2)12(19)16-5-6-17(13)11(18)8-3-4-9(14)10(15)7-8/h3-4,7H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one?
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 268.26 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).