methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate

C20H22N2O4 — CID 70711272

IUPACmethyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H22N2O4/c1-26-20(25)16-4-6-17(7-5-16)21-10-12-22(13-11-21)19(24)14-15-2-8-18(23)9-3-15/h2-9,23H,10-14H2,1H3
InChIKeyAMZHVMKARCGPBS-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.07
Rot. Bonds4

About methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate

methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate (PubChem CID 70711272) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate
PubChem CID70711272
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H22N2O4/c1-26-20(25)16-4-6-17(7-5-16)21-10-12-22(13-11-21)19(24)14-15-2-8-18(23)9-3-15/h2-9,23H,10-14H2,1H3
InChIKeyAMZHVMKARCGPBS-UHFFFAOYSA-N
XLogP2.07
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoate
CID 8690662
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
methyl 4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]benzoate
CID 113078576
methyl 4-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]benzoate
CID 70761890
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 8779416
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
butyl 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]benzoate
CID 13135953
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
methyl 4-[4-[(4-chlorophenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113107978
methyl 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078599
methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17407026
CID 159177716
CID 159177716

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate (CID 70711272) is methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate is COC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2)cc1.
What is the InChIKey of methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate?
The InChIKey is AMZHVMKARCGPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-20(25)16-4-6-17(7-5-16)21-10-12-22(13-11-21)19(24)14-15-2-8-18(23)9-3-15/h2-9,23H,10-14H2,1H3.
What are the key properties of methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate?
methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 70711272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).