4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one

C17H14BrFN2O2 — CID 110428493

IUPAC4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(Br)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2O2/c18-13-5-1-12(2-6-13)17(23)21-10-9-20-16(22)15(21)11-3-7-14(19)8-4-11/h1-8,15H,9-10H2,(H,20,22)
InChIKeyQGLIEOJHEKLLSZ-UHFFFAOYSA-N
MW377.21 g/mol
LogP2.90
Rot. Bonds2

About 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one

4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 110428493) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
PubChem CID110428493
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Name4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(Br)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2O2/c18-13-5-1-12(2-6-13)17(23)21-10-9-20-16(22)15(21)11-3-7-14(19)8-4-11/h1-8,15H,9-10H2,(H,20,22)
InChIKeyQGLIEOJHEKLLSZ-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425972
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110669931
4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644743
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110669930
6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 72885693

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one (CID 110428493) is 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccc(Br)cc2)C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is QGLIEOJHEKLLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c18-13-5-1-12(2-6-13)17(23)21-10-9-20-16(22)15(21)11-3-7-14(19)8-4-11/h1-8,15H,9-10H2,(H,20,22).
What are the key properties of 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one?
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 377.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110428493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).