3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one

C25H26N2O4 — CID 4741032

IUPAC3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCOc1ccccc1O)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26N2O4/c28-23-8-4-5-9-24(23)30-19-14-25(29)27-17-15-26(16-18-27)20-10-12-22(13-11-20)31-21-6-2-1-3-7-21/h1-13,28H,14-19H2
InChIKeyQETHNLFDXXATOM-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.30
Rot. Bonds7

About 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one

3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 4741032) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID4741032
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCOc1ccccc1O)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26N2O4/c28-23-8-4-5-9-24(23)30-19-14-25(29)27-17-15-26(16-18-27)20-10-12-22(13-11-20)31-21-6-2-1-3-7-21/h1-13,28H,14-19H2
InChIKeyQETHNLFDXXATOM-UHFFFAOYSA-N
XLogP4.30
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenoxy)-1-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 4740705
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid
CID 2051581
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113078078
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113078847
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one (CID 4741032) is 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one is O=C(CCOc1ccccc1O)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is QETHNLFDXXATOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c28-23-8-4-5-9-24(23)30-19-14-25(29)27-17-15-26(16-18-27)20-10-12-22(13-11-20)31-21-6-2-1-3-7-21/h1-13,28H,14-19H2.
What are the key properties of 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one?
3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 418.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4741032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).