N-[4-(difluoromethoxy)phenyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

• ChemBase ID: 498941
• Molecular Formular: C19H21F2N3O3
• Molecular Mass: 377.3851464
• Monoisotopic Mass: 377.15509799
• SMILES: C(=O)(N1CCC(CC1)OCc1cnccc1)Nc1ccc(OC(F)F)cc1
• Canonical SMILES: FC(Oc1ccc(cc1)NC(=O)N1CCC(CC1)OCc1cccnc1)F
• InChI: InChI=1S/C19H21F2N3O3/c20-18(21)27-17-5-3-15(4-6-17)23-19(25)24-10-7-16(8-11-24)26-13-14-2-1-9-22-12-14/h1-6,9,12,16,18H,7-8,10-11,13H2,(H,23,25)
• InChIKey: DCOFBMCPFOCDRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(difluoromethoxy)phenyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-[4-(difluoromethoxy)phenyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
• Synonyms: N-[4-(difluoromethoxy)phenyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.847334
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5016875
• LogD (pH = 7.4): 2.561011
• Log P: 2.5618365
• Molar Refractivity: 96.7944 cm^3
• Polarizability: 36.22967 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.67
• LOG S: -2.08
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 6