1-(furan-2-ylmethyl)-N-[2-(pyridin-3-yloxy)propyl]piperidine-4-carboxamide

• ChemBase ID: 690700
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: C(=O)(NCC(Oc1cnccc1)C)C1CCN(Cc2occc2)CC1
• Canonical SMILES: CC(Oc1cccnc1)CNC(=O)C1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C19H25N3O3/c1-15(25-17-4-2-8-20-13-17)12-21-19(23)16-6-9-22(10-7-16)14-18-5-3-11-24-18/h2-5,8,11,13,15-16H,6-7,9-10,12,14H2,1H3,(H,21,23)
• InChIKey: DDVYUPDUURNLLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-[2-(pyridin-3-yloxy)propyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-[2-(pyridin-3-yloxy)propyl]piperidine-4-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-[2-(3-pyridinyloxy)propyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.003379
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4915174
• LogD (pH = 7.4): 0.34622067
• Log P: 1.3076855
• Molar Refractivity: 94.9065 cm^3
• Polarizability: 36.99097 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.34
• LOG S: -2.85
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7