1'-[(2-fluoro-4-methoxyphenyl)methyl]-1-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 436349
• Molecular Formular: C21H23FN2O2
• Molecular Mass: 354.4179232
• Monoisotopic Mass: 354.17435621
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(Cc1c(cc(cc1)OC)F)CC2
• Canonical SMILES: COc1ccc(c(c1)F)CN1CCC2(CC1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C21H23FN2O2/c1-23-19-6-4-3-5-17(19)21(20(23)25)9-11-24(12-10-21)14-15-7-8-16(26-2)13-18(15)22/h3-8,13H,9-12,14H2,1-2H3
• InChIKey: HPYUOJIBEUTALB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-[(2-fluoro-4-methoxyphenyl)methyl]-1-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1'-[(2-fluoro-4-methoxyphenyl)methyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1'-(2-fluoro-4-methoxybenzyl)-1-methylspiro[indole-3,4'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6765812
• LogD (pH = 7.4): 2.4150555
• Log P: 2.9877243
• Molar Refractivity: 99.5934 cm^3
• Polarizability: 38.081703 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.06
• LOG S: -4.4
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3