ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate

C19H26N2O6 — CID 108568096

IUPACethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCN(C(=O)C(C)Oc2ccc(O)cc2)CC1
InChIInChI=1S/C19H26N2O6/c1-3-26-18(24)9-8-17(23)20-10-12-21(13-11-20)19(25)14(2)27-16-6-4-15(22)5-7-16/h4-7,14,22H,3,8-13H2,1-2H3
InChIKeyKPNGJTFYGJJZFA-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.17
Rot. Bonds7

About ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate

ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate (PubChem CID 108568096) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate
PubChem CID108568096
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Nameethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCN(C(=O)C(C)Oc2ccc(O)cc2)CC1
InChIInChI=1S/C19H26N2O6/c1-3-26-18(24)9-8-17(23)20-10-12-21(13-11-20)19(25)14(2)27-16-6-4-15(22)5-7-16/h4-7,14,22H,3,8-13H2,1-2H3
InChIKeyKPNGJTFYGJJZFA-UHFFFAOYSA-N
XLogP1.17
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate with MolForge

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Related Compounds

1-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108534659
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-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534693
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536062
2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 108534685
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534652
3-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543306
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108546840
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534677
2-(4-hydroxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108568120

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate (CID 108568096) is ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCN(C(=O)C(C)Oc2ccc(O)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate?
The InChIKey is KPNGJTFYGJJZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-3-26-18(24)9-8-17(23)20-10-12-21(13-11-20)19(25)14(2)27-16-6-4-15(22)5-7-16/h4-7,14,22H,3,8-13H2,1-2H3.
What are the key properties of ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate?
ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate has a molecular weight of 378.43 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 108568096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).