7-[(1-methyl-1H-indol-5-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 690284
• Molecular Formular: C18H25N3
• Molecular Mass: 283.4112
• Monoisotopic Mass: 283.20484782
• SMILES: n1(c2c(cc1)cc(CN1CC3(CNCC3)CCC1)cc2)C
• Canonical SMILES: Cn1ccc2c1ccc(c2)CN1CCCC2(C1)CNCC2
• InChI: InChI=1S/C18H25N3/c1-20-10-5-16-11-15(3-4-17(16)20)12-21-9-2-6-18(14-21)7-8-19-13-18/h3-5,10-11,19H,2,6-9,12-14H2,1H3
• InChIKey: USVKVFWZUYYMRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(1-methyl-1H-indol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(1-methylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-[(1-methyl-1H-indol-5-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3010776
• LogD (pH = 7.4): -1.4413836
• Log P: 2.401815
• Molar Refractivity: 88.0708 cm^3
• Polarizability: 35.556263 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: 2.43
• LOG S: -2.33
• Polar Surface Area: 20.2 Å^2
• Rotatable Bonds: 2