2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone

C24H24N2O3 — CID 113079212

IUPAC2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C24H24N2O3/c27-24(19-28-21-7-3-1-4-8-21)26-17-15-25(16-18-26)20-11-13-23(14-12-20)29-22-9-5-2-6-10-22/h1-14H,15-19H2
InChIKeyQBKRAJTUVQJUQQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.21
Rot. Bonds6

About 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone

2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 113079212) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
PubChem CID113079212
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C24H24N2O3/c27-24(19-28-21-7-3-1-4-8-21)26-17-15-25(16-18-26)20-11-13-23(14-12-20)29-22-9-5-2-6-10-22/h1-14H,15-19H2
InChIKeyQBKRAJTUVQJUQQ-UHFFFAOYSA-N
XLogP4.21
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113079057
5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid
CID 2051581
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(4-phenoxyphenoxy)ethanone
CID 26023012
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741032
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55756147

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone (CID 113079212) is 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is QBKRAJTUVQJUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24(19-28-21-7-3-1-4-8-21)26-17-15-25(16-18-26)20-11-13-23(14-12-20)29-22-9-5-2-6-10-22/h1-14H,15-19H2.
What are the key properties of 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone?
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 388.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113079212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).