methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate

C13H16N2O4 — CID 117414843

IUPACmethyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(N2CCNCC2=O)c1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)12(17)9-3-2-4-10(7-9)15-6-5-14-8-11(15)16/h2-4,7,12,14,17H,5-6,8H2,1H3
InChIKeySDSJAEDERYIYEE-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.17
Rot. Bonds3

About methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate

methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate (PubChem CID 117414843) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
PubChem CID117414843
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(N2CCNCC2=O)c1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)12(17)9-3-2-4-10(7-9)15-6-5-14-8-11(15)16/h2-4,7,12,14,17H,5-6,8H2,1H3
InChIKeySDSJAEDERYIYEE-UHFFFAOYSA-N
XLogP-0.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
CID 117472059
methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
CID 117415412
1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
CID 117340740
1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one
CID 84794590
methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
CID 117337590
1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117438285
2-[3-(2-oxopiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518984
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117337585
1-(4-methoxyphenyl)piperazin-2-one
CID 15400020
1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one
CID 117438752
1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione
CID 117340213

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate (CID 117414843) is methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate is COC(=O)C(O)c1cccc(N2CCNCC2=O)c1.
What is the InChIKey of methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate?
The InChIKey is SDSJAEDERYIYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)12(17)9-3-2-4-10(7-9)15-6-5-14-8-11(15)16/h2-4,7,12,14,17H,5-6,8H2,1H3.
What are the key properties of methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate?
methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate has a molecular weight of 264.28 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate is sourced from PubChem (CID 117414843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).