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

• ChemBase ID: 371239
• Molecular Formular: C18H18N2O3
• Molecular Mass: 310.34712
• Monoisotopic Mass: 310.13174245
• SMILES: C12(C(=O)Nc3c1cccc3)CN(C(=O)c1c(cco1)C)CCC2
• Canonical SMILES: O=C1Nc2c(C31CCCN(C3)C(=O)c1occc1C)cccc2
• InChI: InChI=1S/C18H18N2O3/c1-12-7-10-23-15(12)16(21)20-9-4-8-18(11-20)13-5-2-3-6-14(13)19-17(18)22/h2-3,5-7,10H,4,8-9,11H2,1H3,(H,19,22)
• InChIKey: FZJGBZDMVBWQMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179125
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2247987
• LogD (pH = 7.4): 2.224798
• Log P: 2.2247987
• Molar Refractivity: 87.4051 cm^3
• Polarizability: 32.19405 Å^3
• Polar Surface Area: 62.55 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: 2.56
• LOG S: -3.65
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 1