3-(3-oxo-5-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CAS No.：
Cat. No.: SC25948
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Product Name :3-(3-oxo-5-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
Cat. No.: :SC25948
Purity / Specification :—
CAS No. :2229723-92-4
MDL No. :NA
Molecular Formula :C17H20N4O3
LogP :-0.40
Molecular Weight :328.37
TPSA :81.8
Category :Building Blocks
HSN Code :—
SMILES Code :O=C1CCC(N2Cc3ccc(N4CCNCC4)cc3C2=O)C(=O)N1
Melting Point :—
InChI Key : :CFOMGFBCZSPWCX-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 328.4 Da
LogP ≤ 5✓ -0.40
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i79/100
Good drug-like profile
Predicted LogP
i-0.40log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 81.8Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.