5-(2-ethoxyethyl)-5-piperidin-4-yl-1-azaspiro[2.2]pentan-5-one

CAS No.：

Cat. No.: SC261806

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Product Name :5-(2-ethoxyethyl)-5-piperidin-4-yl-1-azaspiro[2.2]pentan-5-one

Cat. No.: :SC261806

Purity / Specification :—

CAS No. :—

MDL No. :MFCD29044890

Molecular Formula :C₁₆H₂₄ClN₃O

LogP :2.96

Molecular Weight :309.84

TPSA :39.1

Category :API Intermediates

HSN Code :—

SMILES Code :CCOCCn1c(C2CCNCC2)nc2ccccc21.Cl

Melting Point :—

InChI Key : :YOWRIDDXDCHTLL-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✓ 309.8 Da

LogP ≤ 5✓ 2.96

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

89/100

Excellent drug-like profile

Predicted LogP

2.96log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 39.1Å² · 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.