4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one

C14H17FN2O2 — CID 55216726

IUPAC4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H17FN2O2/c1-3-12-14(19)16-6-7-17(12)13-5-4-10(9(2)18)8-11(13)15/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,19)
InChIKeyOUTMHGGVIYPDIS-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.74
Rot. Bonds3

About 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one

4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one (PubChem CID 55216726) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one
PubChem CID55216726
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H17FN2O2/c1-3-12-14(19)16-6-7-17(12)13-5-4-10(9(2)18)8-11(13)15/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,19)
InChIKeyOUTMHGGVIYPDIS-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)-5-fluorobenzaldehyde
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4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione
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4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one
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1-[4-(2-ethylazepan-1-yl)-3-fluorophenyl]ethanone
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4-(2-amino-4-fluoro-5-methylphenyl)-3-ethylpiperazin-2-one
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3-fluoro-4-(2-methyl-3-oxopiperazin-1-yl)benzenecarbothioamide
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2-(2-ethyl-3-oxopiperazin-1-yl)-6-fluorobenzenecarbothioamide
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4-(4-amino-2-chlorophenyl)-3-ethylpiperazin-2-one
CID 55227245
3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
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4-[4-chloro-2-(methylaminomethyl)phenyl]-3-ethylpiperazin-2-one
CID 114851218
2-[1-(2-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 82019151

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one (CID 55216726) is 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1ccc(C(C)=O)cc1F.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one?
The InChIKey is OUTMHGGVIYPDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-12-14(19)16-6-7-17(12)13-5-4-10(9(2)18)8-11(13)15/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,19).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one?
4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one has a molecular weight of 264.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 55216726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).