1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone

C20H22N2O3 — CID 8866833

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3/c1-16(23)17-7-9-18(10-8-17)21-11-13-22(14-12-21)20(24)15-25-19-5-3-2-4-6-19/h2-10H,11-15H2,1H3
InChIKeyFULYKIYBGZSDQR-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.62
Rot. Bonds5

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 8866833) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID8866833
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3/c1-16(23)17-7-9-18(10-8-17)21-11-13-22(14-12-21)20(24)15-25-19-5-3-2-4-6-19/h2-10H,11-15H2,1H3
InChIKeyFULYKIYBGZSDQR-UHFFFAOYSA-N
XLogP2.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113079057
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 8867044
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
(E)-1-(4-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
CID 5466905
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone (CID 8866833) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone is CC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is FULYKIYBGZSDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-16(23)17-7-9-18(10-8-17)21-11-13-22(14-12-21)20(24)15-25-19-5-3-2-4-6-19/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 338.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 8866833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).