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

C17H14F2N2O2 — CID 110428490

IUPAC4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccccc2F)C1c1ccc(F)cc1
InChIInChI=1S/C17H14F2N2O2/c18-12-7-5-11(6-8-12)15-16(22)20-9-10-21(15)17(23)13-3-1-2-4-14(13)19/h1-8,15H,9-10H2,(H,20,22)
InChIKeyMBRYUDXAUGCQJL-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.28
Rot. Bonds2

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

4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 110428490) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
PubChem CID110428490
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccccc2F)C1c1ccc(F)cc1
InChIInChI=1S/C17H14F2N2O2/c18-12-7-5-11(6-8-12)15-16(22)20-9-10-21(15)17(23)13-3-1-2-4-14(13)19/h1-8,15H,9-10H2,(H,20,22)
InChIKeyMBRYUDXAUGCQJL-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985
4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644742
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110420010
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
CID 45209394
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110669930
3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one
CID 50951502
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110669931

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one (CID 110428490) is 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccccc2F)C1c1ccc(F)cc1.
What is the InChIKey of 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is MBRYUDXAUGCQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-12-7-5-11(6-8-12)15-16(22)20-9-10-21(15)17(23)13-3-1-2-4-14(13)19/h1-8,15H,9-10H2,(H,20,22).
What are the key properties of 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one?
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 316.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110428490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).