8-(1H-indole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 645614
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: C(=O)(N1CCC2(CC(=O)NC2)CC1)c1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)C(=O)c1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C17H19N3O2/c21-15-10-17(11-19-15)4-7-20(8-5-17)16(22)13-1-2-14-12(9-13)3-6-18-14/h1-3,6,9,18H,4-5,7-8,10-11H2,(H,19,21)
• InChIKey: MJSGFFACLAIAKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1H-indole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(1H-indole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(1H-indol-5-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.374735
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.58629864
• LogD (pH = 7.4): 0.5862988
• Log P: 0.5862988
• Molar Refractivity: 83.6807 cm^3
• Polarizability: 32.8438 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: -0.24
• LOG S: -2.47
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 1