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

C21H24N2O5 — CID 108534685

IUPAC2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C21H24N2O5/c1-16(28-19-9-7-17(24)8-10-19)21(26)23-13-11-22(12-14-23)20(25)15-27-18-5-3-2-4-6-18/h2-10,16,24H,11-15H2,1H3
InChIKeyFHYFJQDSJKDGQW-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.91
Rot. Bonds6

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

2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one (PubChem CID 108534685) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
PubChem CID108534685
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C21H24N2O5/c1-16(28-19-9-7-17(24)8-10-19)21(26)23-13-11-22(12-14-23)20(25)15-27-18-5-3-2-4-6-18/h2-10,16,24H,11-15H2,1H3
InChIKeyFHYFJQDSJKDGQW-UHFFFAOYSA-N
XLogP1.91
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534652
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534665
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108534659
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
1-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108535916
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate
CID 108568096
3-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543306
1-[4-(2-phenylacetyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534738
1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534693

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one (CID 108534685) is 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one is CC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is FHYFJQDSJKDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-16(28-19-9-7-17(24)8-10-19)21(26)23-13-11-22(12-14-23)20(25)15-27-18-5-3-2-4-6-18/h2-10,16,24H,11-15H2,1H3.
What are the key properties of 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one?
2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 384.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108534685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).