(2r,4r)-2-(4-acetyl-4-phenylpiperidine-1-carbonyl)-5,7-diazaspiro[3.4]octane-6,8-dione

• ChemBase ID: 757836
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: [C@]12(C(=O)NC(=O)N1)C[C@@H](C(=O)N1CCC(CC1)(C(=O)C)c1ccccc1)C2
• Canonical SMILES: O=C([C@@H]1C[C@]2(C1)NC(=O)NC2=O)N1CCC(CC1)(C(=O)C)c1ccccc1
• InChI: InChI=1S/C20H23N3O4/c1-13(24)19(15-5-3-2-4-6-15)7-9-23(10-8-19)16(25)14-11-20(12-14)17(26)21-18(27)22-20/h2-6,14H,7-12H2,1H3,(H2,21,22,26,27)/t14-,20-
• InChIKey: ZBXPUXODZJHIIS-OYOVHJISSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2r,4r)-2-(4-acetyl-4-phenylpiperidine-1-carbonyl)-5,7-diazaspiro[3.4]octane-6,8-dione
• IUPAC Traditional name: (2r,4r)-2-(4-acetyl-4-phenylpiperidine-1-carbonyl)-5,7-diazaspiro[3.4]octane-6,8-dione
• Synonyms: (2S,4r)-2-[(4-acetyl-4-phenyl-1-piperidinyl)carbonyl]-5,7-diazaspiro[3.4]octane-6,8-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.590779
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.64373314
• LogD (pH = 7.4): 0.6410102
• Log P: 0.64376837
• Molar Refractivity: 97.2826 cm^3
• Polarizability: 37.670418 Å^3
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.77
• LOG S: -2.55
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 3