N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

• ChemBase ID: 793488
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: C(=O)(N1CCC(CC1)OCc1ncccc1)Nc1cc(ccc1C)OC
• Canonical SMILES: COc1ccc(c(c1)NC(=O)N1CCC(CC1)OCc1ccccn1)C
• InChI: InChI=1S/C20H25N3O3/c1-15-6-7-18(25-2)13-19(15)22-20(24)23-11-8-17(9-12-23)26-14-16-5-3-4-10-21-16/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,22,24)
• InChIKey: MEPGNFUQYKVYRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
• Synonyms: N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.133706
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2218316
• LogD (pH = 7.4): 2.2298672
• Log P: 2.2299716
• Molar Refractivity: 101.3045 cm^3
• Polarizability: 38.490704 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.52
• LOG S: -2.64
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 5