2-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylisoindole-1,3-dione

CAS No.：

Cat. No.: SCC-25947

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Product Name :2-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylisoindole-1,3-dione

Cat. No.: :SCC-25947

Purity / Specification :—

CAS No. :2154342-57-9

MDL No. :MFCD32898791

Molecular Formula :C₁₇H₁₈N₄O₄

LogP :-0.20

Molecular Weight :342.36

TPSA :98.8

Category :Building Blocks

HSN Code :—

SMILES Code :O=C1CCC(N2C(=O)c3cccc(N4CCNCC4)c3C2=O)C(=O)N1

Melting Point :—

InChI Key : :APURBVBIOACKLC-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 342.4 Da

LogP ≤ 5✓ -0.20

HBD ≤ 5✓ 2

HBA ≤ 10✓ 6

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

74/100

Good drug-like profile

Predicted LogP

-0.20log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS− unlikely

TPSA 98.8Å² · 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.