N-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxamide

• ChemBase ID: 820580
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(C(=O)Nc1cc3c(cc1)COC3)CC2
• Canonical SMILES: O=C(N1CCC2(CC1)c1ccccc1N(C2=O)C)Nc1ccc2c(c1)COC2
• InChI: InChI=1S/C22H23N3O3/c1-24-19-5-3-2-4-18(19)22(20(24)26)8-10-25(11-9-22)21(27)23-17-7-6-15-13-28-14-16(15)12-17/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)
• InChIKey: CCDLOTVWEHUECB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxamide
• IUPAC Traditional name: N-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
• Synonyms: N-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.295936
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0398178
• LogD (pH = 7.4): 2.0398173
• Log P: 2.0398178
• Molar Refractivity: 107.8259 cm^3
• Polarizability: 40.359737 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.28
• LOG S: -3.9
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 1