methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate

C14H18N2O4 — CID 117446001

IUPACmethyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1ccccc1N1CCN(C)C(=O)C1
InChIInChI=1S/C14H18N2O4/c1-15-7-8-16(9-12(15)17)11-6-4-3-5-10(11)13(18)14(19)20-2/h3-6,13,18H,7-9H2,1-2H3
InChIKeyWFPFYCDYHZTTLW-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.17
Rot. Bonds3

About methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate

methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate (PubChem CID 117446001) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate
PubChem CID117446001
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1ccccc1N1CCN(C)C(=O)C1
InChIInChI=1S/C14H18N2O4/c1-15-7-8-16(9-12(15)17)11-6-4-3-5-10(11)13(18)14(19)20-2/h3-6,13,18H,7-9H2,1-2H3
InChIKeyWFPFYCDYHZTTLW-UHFFFAOYSA-N
XLogP0.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate (CID 117446001) is methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate is COC(=O)C(O)c1ccccc1N1CCN(C)C(=O)C1.
What is the InChIKey of methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate?
The InChIKey is WFPFYCDYHZTTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-7-8-16(9-12(15)17)11-6-4-3-5-10(11)13(18)14(19)20-2/h3-6,13,18H,7-9H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate?
methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate has a molecular weight of 278.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate is sourced from PubChem (CID 117446001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).