N-(2-methoxyphenyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-piperidine]-1'-carboxamide

• ChemBase ID: 565319
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: C12(C(=O)Nc3c1cccc3)CN(C(=O)Nc1c(OC)cccc1)CCC2
• Canonical SMILES: COc1ccccc1NC(=O)N1CCCC2(C1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C20H21N3O3/c1-26-17-10-5-4-9-16(17)22-19(25)23-12-6-11-20(13-23)14-7-2-3-8-15(14)21-18(20)24/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)(H,22,25)
• InChIKey: RBQNOMLXMZDGMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-piperidine]-1'-carboxamide
• IUPAC Traditional name: N-(2-methoxyphenyl)-2-oxo-1H-spiro[indole-3,3'-piperidine]-1'-carboxamide
• Synonyms: N-(2-methoxyphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-piperidine]-1'-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.858319
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5469837
• LogD (pH = 7.4): 2.5469697
• Log P: 2.546984
• Molar Refractivity: 100.8975 cm^3
• Polarizability: 37.40497 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.5
• LOG S: -3.9
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 2