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

• ChemBase ID: 617634
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: C12(C(=O)Nc3c1cccc3)CN(C(=O)COCC)CCC2
• Canonical SMILES: CCOCC(=O)N1CCCC2(C1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C16H20N2O3/c1-2-21-10-14(19)18-9-5-8-16(11-18)12-6-3-4-7-13(12)17-15(16)20/h3-4,6-7H,2,5,8-11H2,1H3,(H,17,20)
• InChIKey: JFMAIEGTWDDITQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179133
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9796427
• LogD (pH = 7.4): 0.979642
• Log P: 0.9796427
• Molar Refractivity: 80.5045 cm^3
• Polarizability: 30.393967 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: 1.79
• LOG S: -2.83
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3