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

C19H19FN2O3 — CID 110420396

IUPAC4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O3/c1-25-16-8-4-14(5-9-16)18-19(24)21-10-11-22(18)17(23)12-13-2-6-15(20)7-3-13/h2-9,18H,10-12H2,1H3,(H,21,24)
InChIKeyPSBQXADCLRYMLC-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.08
Rot. Bonds4

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

4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one (PubChem CID 110420396) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
PubChem CID110420396
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O3/c1-25-16-8-4-14(5-9-16)18-19(24)21-10-11-22(18)17(23)12-13-2-6-15(20)7-3-13/h2-9,18H,10-12H2,1H3,(H,21,24)
InChIKeyPSBQXADCLRYMLC-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
3-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-3-methylbutanoyl]piperazin-2-one
CID 110620016
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126430821
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one
CID 110420415
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one (CID 110420396) is 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one is COc1ccc(C2C(=O)NCCN2C(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one?
The InChIKey is PSBQXADCLRYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-16-8-4-14(5-9-16)18-19(24)21-10-11-22(18)17(23)12-13-2-6-15(20)7-3-13/h2-9,18H,10-12H2,1H3,(H,21,24).
What are the key properties of 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one?
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one has a molecular weight of 342.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 110420396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).