3-(1H-imidazol-2-yl)-1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidine

• ChemBase ID: 710617
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(C(=O)N2CC(c3ncc[nH]3)CCC2)cc2c(cc1OC)CCC2
• Canonical SMILES: COc1cc2CCCc2cc1C(=O)N1CCCC(C1)c1ncc[nH]1
• InChI: InChI=1S/C19H23N3O2/c1-24-17-11-14-5-2-4-13(14)10-16(17)19(23)22-9-3-6-15(12-22)18-20-7-8-21-18/h7-8,10-11,15H,2-6,9,12H2,1H3,(H,20,21)
• InChIKey: GDRGESASDDECKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-imidazol-2-yl)-1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidine
• IUPAC Traditional name: 3-(1H-imidazol-2-yl)-1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidine
• Synonyms: 3-(1H-imidazol-2-yl)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.868147
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7954375
• LogD (pH = 7.4): 2.5087306
• Log P: 2.551457
• Molar Refractivity: 93.3119 cm^3
• Polarizability: 35.20782 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.78
• LOG S: -3.09
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 3