1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one

C15H19FN2O2 — CID 133285215

IUPAC1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cccc(F)c2C(C)=O)CC1
InChIInChI=1S/C15H19FN2O2/c1-3-14(20)18-9-7-17(8-10-18)13-6-4-5-12(16)15(13)11(2)19/h4-6H,3,7-10H2,1-2H3
InChIKeyPOQSECMJSVOEAF-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.09
Rot. Bonds3

About 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one

1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 133285215) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID133285215
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cccc(F)c2C(C)=O)CC1
InChIInChI=1S/C15H19FN2O2/c1-3-14(20)18-9-7-17(8-10-18)13-6-4-5-12(16)15(13)11(2)19/h4-6H,3,7-10H2,1-2H3
InChIKeyPOQSECMJSVOEAF-UHFFFAOYSA-N
XLogP2.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
CID 28787522
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
1-[2-fluoro-6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]phenyl]ethanone
CID 125130888
1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride
CID 167936540
2-(4-ethylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79522441
1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
1-[2-fluoro-6-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 133314802
1-[2-fluoro-6-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]phenyl]ethanone
CID 60521453
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55431961
(3S)-1-(2-acetyl-3-fluorophenyl)-N-ethylpyrrolidine-3-sulfonamide
CID 97158073

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one (CID 133285215) is 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cccc(F)c2C(C)=O)CC1.
What is the InChIKey of 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is POQSECMJSVOEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-14(20)18-9-7-17(8-10-18)13-6-4-5-12(16)15(13)11(2)19/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one?
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 278.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 133285215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).