2-[(1-methyl-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane

• ChemBase ID: 865299
• Molecular Formular: C18H25N3
• Molecular Mass: 283.4112
• Monoisotopic Mass: 283.20484782
• SMILES: c1(n(c2c(c1)cccc2)C)CN1CC2(CC1)CCNCC2
• Canonical SMILES: Cn1c(CN2CCC3(C2)CCNCC3)cc2c1cccc2
• InChI: InChI=1S/C18H25N3/c1-20-16(12-15-4-2-3-5-17(15)20)13-21-11-8-18(14-21)6-9-19-10-7-18/h2-5,12,19H,6-11,13-14H2,1H3
• InChIKey: MHOCMDQDVSHETC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-methyl-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[(1-methyl-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4500093
• LogD (pH = 7.4): -2.689993
• Log P: 2.1659086
• Molar Refractivity: 88.1023 cm^3
• Polarizability: 35.557636 Å^3
• Polar Surface Area: 20.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.47
• LOG S: -2.37
• Polar Surface Area: 20.2 Å^2
• Rotatable Bonds: 2