4-(1H-imidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine

• ChemBase ID: 536382
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: C(=O)(N1CCC(c2ncc[nH]2)CC1)C1Cc2c(CC1)cccc2
• Canonical SMILES: O=C(C1CCc2c(C1)cccc2)N1CCC(CC1)c1ncc[nH]1
• InChI: InChI=1S/C19H23N3O/c23-19(17-6-5-14-3-1-2-4-16(14)13-17)22-11-7-15(8-12-22)18-20-9-10-21-18/h1-4,9-10,15,17H,5-8,11-13H2,(H,20,21)
• InChIKey: NINNIYYCNIPKNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-imidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine
• IUPAC Traditional name: 4-(1H-imidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine
• Synonyms: 4-(1H-imidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.896139
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7946947
• LogD (pH = 7.4): 2.517704
• Log P: 2.5629508
• Molar Refractivity: 90.5874 cm^3
• Polarizability: 34.900494 Å^3
• Polar Surface Area: 48.99 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: 2.45
• LOG S: -3.55
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 2