2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone

C19H22N2O3 — CID 56698277

IUPAC2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1cccc(OCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-23-17-8-5-9-18(14-17)24-15-19(22)21-12-10-20(11-13-21)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeyQTKMNEYVVJXGHJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.42
Rot. Bonds5

About 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone

2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 56698277) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID56698277
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1cccc(OCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-23-17-8-5-9-18(14-17)24-15-19(22)21-12-10-20(11-13-21)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeyQTKMNEYVVJXGHJ-UHFFFAOYSA-N
XLogP2.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 30795165
N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 25354438
4-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3,5-dimethylbenzaldehyde
CID 2052205
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
2-(3-methoxyphenoxy)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341561

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone (CID 56698277) is 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone is COc1cccc(OCC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is QTKMNEYVVJXGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-8-5-9-18(14-17)24-15-19(22)21-12-10-20(11-13-21)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56698277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).