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

C20H21FN2O4 — CID 110657027

IUPAC4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
SMILESCOc1ccc(CC(=O)N2CCNC(=O)C2c2ccccc2F)cc1OC
InChIInChI=1S/C20H21FN2O4/c1-26-16-8-7-13(11-17(16)27-2)12-18(24)23-10-9-22-20(25)19(23)14-5-3-4-6-15(14)21/h3-8,11,19H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyOWBDOABYLLANOZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.09
Rot. Bonds5

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

4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one (PubChem CID 110657027) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
PubChem CID110657027
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
SMILESCOc1ccc(CC(=O)N2CCNC(=O)C2c2ccccc2F)cc1OC
InChIInChI=1S/C20H21FN2O4/c1-26-16-8-7-13(11-17(16)27-2)12-18(24)23-10-9-22-20(25)19(23)14-5-3-4-6-15(14)21/h3-8,11,19H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyOWBDOABYLLANOZ-UHFFFAOYSA-N
XLogP2.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
CID 166209794
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
2-[4-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110657054
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
CID 120739203
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one
CID 110657064
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585
2-(3,4-dimethoxyphenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 7750532

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one (CID 110657027) is 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one is COc1ccc(CC(=O)N2CCNC(=O)C2c2ccccc2F)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one?
The InChIKey is OWBDOABYLLANOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-26-16-8-7-13(11-17(16)27-2)12-18(24)23-10-9-22-20(25)19(23)14-5-3-4-6-15(14)21/h3-8,11,19H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one?
4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one has a molecular weight of 372.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110657027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).