3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione

C13H12N2O2 — CID 88959120

IUPAC3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione
SMILES[2H]C1(n2cc3ccccc3c2)CCC(=O)NC1=O
InChIInChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-7-9-3-1-2-4-10(9)8-15/h1-4,7-8,11H,5-6H2,(H,14,16,17)/i11D
InChIKeyDCXSLPIDFATNLS-WORMITQPSA-N
MW229.26 g/mol
LogP1.62
Rot. Bonds1

About 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione

3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione (PubChem CID 88959120) has the molecular formula C13H12N2O2 and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione
PubChem CID88959120
Molecular FormulaC13H12N2O2
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione
SMILES[2H]C1(n2cc3ccccc3c2)CCC(=O)NC1=O
InChIInChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-7-9-3-1-2-4-10(9)8-15/h1-4,7-8,11H,5-6H2,(H,14,16,17)/i11D
InChIKeyDCXSLPIDFATNLS-WORMITQPSA-N
XLogP1.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-deuterio-3-isoindol-2-ylpiperidine-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-deuterio-3-isoindol-2-ylpiperidine-2,6-dione?
The IUPAC name of 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione (CID 88959120) is 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione?
The canonical SMILES for 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione is [2H]C1(n2cc3ccccc3c2)CCC(=O)NC1=O.
What is the InChIKey of 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione?
The InChIKey is DCXSLPIDFATNLS-WORMITQPSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-7-9-3-1-2-4-10(9)8-15/h1-4,7-8,11H,5-6H2,(H,14,16,17)/i11D.
What are the key properties of 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione?
3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione has a molecular weight of 229.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-3-isoindol-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 88959120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).