3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione

C13H15NO3 — CID 528897

IUPAC3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione
SMILESCCC1(c2ccc(O)cc2)CCC(=O)NC1=O
InChIInChI=1S/C13H15NO3/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(15)6-4-9/h3-6,15H,2,7-8H2,1H3,(H,14,16,17)
InChIKeyLJYPZSQFNJDVIO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.48
Rot. Bonds2

About 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione

3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione (PubChem CID 528897) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione
PubChem CID528897
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione
SMILESCCC1(c2ccc(O)cc2)CCC(=O)NC1=O
InChIInChI=1S/C13H15NO3/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(15)6-4-9/h3-6,15H,2,7-8H2,1H3,(H,14,16,17)
InChIKeyLJYPZSQFNJDVIO-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-(4-hydroxyphenyl)piperidine-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione?
The IUPAC name of 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione (CID 528897) is 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione is CCC1(c2ccc(O)cc2)CCC(=O)NC1=O.
What is the InChIKey of 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione?
The InChIKey is LJYPZSQFNJDVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(15)6-4-9/h3-6,15H,2,7-8H2,1H3,(H,14,16,17).
What are the key properties of 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione?
3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(4-hydroxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 528897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).