1'-(2-ethoxybenzoyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 521467
• Molecular Formular: C21H22N2O3
• Molecular Mass: 350.41098
• Monoisotopic Mass: 350.16304257
• SMILES: C12(C(=O)Nc3c1cccc3)CN(C(=O)c1c(OCC)cccc1)CCC2
• Canonical SMILES: CCOc1ccccc1C(=O)N1CCCC2(C1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C21H22N2O3/c1-2-26-18-11-6-3-8-15(18)19(24)23-13-7-12-21(14-23)16-9-4-5-10-17(16)22-20(21)25/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,25)
• InChIKey: ZNTATNJKWZNVCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(2-ethoxybenzoyl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-(2-ethoxybenzoyl)-1H-spiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-(2-ethoxybenzoyl)spiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179126
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8502674
• LogD (pH = 7.4): 2.8502667
• Log P: 2.8502674
• Molar Refractivity: 101.1848 cm^3
• Polarizability: 37.899837 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.93
• LOG S: -4.26
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3