2-(1H-indole-3-carbonyl)-8-methyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 795053
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: c1(C(=O)N2CC3(CC2)CCN(CC3)C)c[nH]c2c1cccc2
• Canonical SMILES: CN1CCC2(CC1)CCN(C2)C(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H23N3O/c1-20-9-6-18(7-10-20)8-11-21(13-18)17(22)15-12-19-16-5-3-2-4-14(15)16/h2-5,12,19H,6-11,13H2,1H3
• InChIKey: ADEONKBIFKMMAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.369169
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5173309
• LogD (pH = 7.4): -0.013637489
• Log P: 1.761875
• Molar Refractivity: 88.9519 cm^3
• Polarizability: 35.039116 Å^3
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.66
• LOG S: -2.78
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 1