1-methyl-1'-[(5-methylfuran-2-yl)methyl]-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 749313
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(Cc1oc(cc1)C)CC2
• Canonical SMILES: Cc1ccc(o1)CN1CCC2(CC1)C(=O)N(c1c2cccc1)C
• InChI: InChI=1S/C19H22N2O2/c1-14-7-8-15(23-14)13-21-11-9-19(10-12-21)16-5-3-4-6-17(16)20(2)18(19)22/h3-8H,9-13H2,1-2H3
• InChIKey: BGIWLRBUUGWHIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1'-[(5-methylfuran-2-yl)methyl]-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1-methyl-1'-[(5-methylfuran-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1-methyl-1'-[(5-methyl-2-furyl)methyl]spiro[indole-3,4'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.63463616
• LogD (pH = 7.4): 1.1118107
• Log P: 2.2625017
• Molar Refractivity: 90.4544 cm^3
• Polarizability: 34.541325 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.66
• LOG S: -3.73
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2