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

C15H19FN2O2 — CID 110817138

IUPAC1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O2/c1-2-14(19)17-6-8-18(9-7-17)15(20)11-12-4-3-5-13(16)10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKeyZFBHYHYVJCTVGM-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.45
Rot. Bonds3

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

1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 110817138) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID110817138
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O2/c1-2-14(19)17-6-8-18(9-7-17)15(20)11-12-4-3-5-13(16)10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKeyZFBHYHYVJCTVGM-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113081269
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110804316
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 113073970
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 95587276

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one (CID 110817138) is 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is ZFBHYHYVJCTVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-14(19)17-6-8-18(9-7-17)15(20)11-12-4-3-5-13(16)10-12/h3-5,10H,2,6-9,11H2,1H3.
What are the key properties of 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one?
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 278.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110817138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).