4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione

C12H12N2O4 — CID 66085297

IUPAC4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)Cc2cccc(O)c2)CC(=O)N1
InChIInChI=1S/C12H12N2O4/c15-9-3-1-2-8(4-9)5-12(18)14-6-10(16)13-11(17)7-14/h1-4,15H,5-7H2,(H,13,16,17)
InChIKeyPDIUVZGNHFPIPA-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.58
Rot. Bonds2

About 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione

4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione (PubChem CID 66085297) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
PubChem CID66085297
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)Cc2cccc(O)c2)CC(=O)N1
InChIInChI=1S/C12H12N2O4/c15-9-3-1-2-8(4-9)5-12(18)14-6-10(16)13-11(17)7-14/h1-4,15H,5-7H2,(H,13,16,17)
InChIKeyPDIUVZGNHFPIPA-UHFFFAOYSA-N
XLogP-0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 61399698
4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione
CID 66085882
1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 63861899
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
4-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 66083827
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione (CID 66085297) is 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione is O=C1CN(C(=O)Cc2cccc(O)c2)CC(=O)N1.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione?
The InChIKey is PDIUVZGNHFPIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-9-3-1-2-8(4-9)5-12(18)14-6-10(16)13-11(17)7-14/h1-4,15H,5-7H2,(H,13,16,17).
What are the key properties of 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione?
4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione has a molecular weight of 248.24 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66085297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).