1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone

C19H19FN2O3 — CID 8501561

IUPAC1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
SMILESO=C(COc1cccc(F)c1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H19FN2O3/c20-16-7-4-8-17(13-16)25-14-18(23)21-9-11-22(12-10-21)19(24)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyZPDJVWGVTUXUBV-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone

1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone (PubChem CID 8501561) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
PubChem CID8501561
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
SMILESO=C(COc1cccc(F)c1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H19FN2O3/c20-16-7-4-8-17(13-16)25-14-18(23)21-9-11-22(12-10-21)19(24)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyZPDJVWGVTUXUBV-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110818418
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072053
2-(3,4-dimethylphenoxy)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 32522055
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-nitrophenoxy)ethanone
CID 32521070
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 110364837
1-[4-[2-(3-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796896
2-(3-fluorophenoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308620
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-4-phenoxybutan-1-one
CID 108547017
[3-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543540

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone (CID 8501561) is 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone is O=C(COc1cccc(F)c1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone?
The InChIKey is ZPDJVWGVTUXUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-7-4-8-17(13-16)25-14-18(23)21-9-11-22(12-10-21)19(24)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone?
1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone has a molecular weight of 342.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone is sourced from PubChem (CID 8501561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).