4-(benzyloxy)-1-[1-(oxolan-2-ylmethyl)-1H-1,2,3-triazole-4-carbonyl]piperidine

• ChemBase ID: 850590
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(nnn(c1)CC1OCCC1)C(=O)N1CCC(CC1)OCc1ccccc1
• Canonical SMILES: O=C(c1nnn(c1)CC1CCCO1)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C20H26N4O3/c25-20(19-14-24(22-21-19)13-18-7-4-12-26-18)23-10-8-17(9-11-23)27-15-16-5-2-1-3-6-16/h1-3,5-6,14,17-18H,4,7-13,15H2
• InChIKey: AJAHIHOFBFNJFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-[1-(oxolan-2-ylmethyl)-1H-1,2,3-triazole-4-carbonyl]piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-[1-(oxolan-2-ylmethyl)-1,2,3-triazole-4-carbonyl]piperidine
• Synonyms: 4-(benzyloxy)-1-{[1-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8083209
• LogD (pH = 7.4): 1.808321
• Log P: 1.808321
• Molar Refractivity: 113.161 cm^3
• Polarizability: 38.82285 Å^3
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.58
• LOG S: -3.72
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 6