1'-[(1-propyl-1H-imidazol-2-yl)methyl]-1,2-dihydrospiro[indole-3,4'-piperidine]

• ChemBase ID: 648222
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: c1(n(ccn1)CCC)CN1CCC2(c3c(NC2)cccc3)CC1
• Canonical SMILES: CCCn1ccnc1CN1CCC2(CC1)CNc1c2cccc1
• InChI: InChI=1S/C19H26N4/c1-2-10-23-13-9-20-18(23)14-22-11-7-19(8-12-22)15-21-17-6-4-3-5-16(17)19/h3-6,9,13,21H,2,7-8,10-12,14-15H2,1H3
• InChIKey: QYPLGIHCMIAJKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-[(1-propyl-1H-imidazol-2-yl)methyl]-1,2-dihydrospiro[indole-3,4'-piperidine]
• IUPAC Traditional name: 1'-[(1-propylimidazol-2-yl)methyl]-1,2-dihydrospiro[indole-3,4'-piperidine]
• Synonyms: 1'-[(1-propyl-1H-imidazol-2-yl)methyl]-1,2-dihydrospiro[indole-3,4'-piperidine]

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.007762867
• LogD (pH = 7.4): 1.7719833
• Log P: 2.254166
• Molar Refractivity: 96.0197 cm^3
• Polarizability: 36.21344 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.44
• LOG S: -2.54
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4