3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione

• ChemBase ID: 130358
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: O=C1NC(=O)CCC1(c1ccccc1)CCN(CC)CC
• Canonical SMILES: CCN(CCC1(CCC(=O)NC1=O)c1ccccc1)CC
• InChI: InChI=1S/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)
• InChIKey: BFMBKRQFMIILCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione
• IUPAC Traditional name: phenglutarimide hydrochloride
• Synonyms: Phenglutarimide

Database IDs

• CAS Number: 1156-05-4
• PubChem SID: 162224637
• PubChem CID: 102669
• ATC CODE: N04AA09
• CHEMBL: 1096643
• Chemspider ID: 92737
• KEGG ID: D07301
• Unique Ingredient Identifier: 679RC9H8TG
• Wikipedia Title: Phenglutarimide

CALCULATED PROPERTIES

• Acid pKa: 11.699531
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3423384
• LogD (pH = 7.4): -0.40369162
• Log P: 1.9964789
• Molar Refractivity: 83.8066 cm^3
• Polarizability: 32.661392 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true