4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one

C19H19FN2O2 — CID 110420024

IUPAC4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2C(=O)NCCN2C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-2-6-15(7-3-13)18-19(24)21-10-11-22(18)17(23)12-14-4-8-16(20)9-5-14/h2-9,18H,10-12H2,1H3,(H,21,24)
InChIKeyJOPHZGULWWIHTB-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.38
Rot. Bonds3

About 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one

4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one (PubChem CID 110420024) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
PubChem CID110420024
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2C(=O)NCCN2C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-2-6-15(7-3-13)18-19(24)21-10-11-22(18)17(23)12-14-4-8-16(20)9-5-14/h2-9,18H,10-12H2,1H3,(H,21,24)
InChIKeyJOPHZGULWWIHTB-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
4-(3,3-dimethylbutanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644711
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644668
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one
CID 131932980

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one (CID 110420024) is 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one is Cc1ccc(C2C(=O)NCCN2C(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one?
The InChIKey is JOPHZGULWWIHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-2-6-15(7-3-13)18-19(24)21-10-11-22(18)17(23)12-14-4-8-16(20)9-5-14/h2-9,18H,10-12H2,1H3,(H,21,24).
What are the key properties of 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one?
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one has a molecular weight of 326.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110420024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).