N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

• ChemBase ID: 520987
• Molecular Formular: C19H22ClN3O3
• Molecular Mass: 375.84928
• Monoisotopic Mass: 375.13496926
• SMILES: C(=O)(N1CCC(CC1)OCc1cnccc1)Nc1cc(ccc1OC)Cl
• Canonical SMILES: COc1ccc(cc1NC(=O)N1CCC(CC1)OCc1cccnc1)Cl
• InChI: InChI=1S/C19H22ClN3O3/c1-25-18-5-4-15(20)11-17(18)22-19(24)23-9-6-16(7-10-23)26-13-14-3-2-8-21-12-14/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3,(H,22,24)
• InChIKey: WYLCRQBFGUFKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• Synonyms: N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.704062
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1789737
• LogD (pH = 7.4): 2.2382772
• Log P: 2.2391229
• Molar Refractivity: 101.5903 cm^3
• Polarizability: 38.614063 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: 2.66
• LOG S: -2.91
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 5