4-(benzyloxy)-1-(1,3-thiazole-4-carbonyl)piperidine

• ChemBase ID: 638647
• Molecular Formular: C16H18N2O2S
• Molecular Mass: 302.39132
• Monoisotopic Mass: 302.10889883
• SMILES: c1(C(=O)N2CCC(CC2)OCc2ccccc2)ncsc1
• Canonical SMILES: O=C(c1cscn1)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C16H18N2O2S/c19-16(15-11-21-12-17-15)18-8-6-14(7-9-18)20-10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
• InChIKey: REGHXQGTLORDBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-(1,3-thiazole-4-carbonyl)piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-(1,3-thiazole-4-carbonyl)piperidine
• Synonyms: 4-(benzyloxy)-1-(1,3-thiazol-4-ylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0015402
• LogD (pH = 7.4): 2.0015407
• Log P: 2.0015407
• Molar Refractivity: 82.8543 cm^3
• Polarizability: 31.56659 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.83
• LOG S: -2.97
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4