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

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Related Compounds

4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644668
3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 110656787
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 72885693
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
4-(3,3-dimethylbutanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644711

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).