N-[3-(difluoromethoxy)phenyl]-3-(morpholine-4-carbonyl)piperidine-1-carboxamide

• ChemBase ID: 673373
• Molecular Formular: C18H23F2N3O4
• Molecular Mass: 383.3897264
• Monoisotopic Mass: 383.16566267
• SMILES: C(=O)(N1CC(C(=O)N2CCOCC2)CCC1)Nc1cc(OC(F)F)ccc1
• Canonical SMILES: FC(Oc1cccc(c1)NC(=O)N1CCCC(C1)C(=O)N1CCOCC1)F
• InChI: InChI=1S/C18H23F2N3O4/c19-17(20)27-15-5-1-4-14(11-15)21-18(25)23-6-2-3-13(12-23)16(24)22-7-9-26-10-8-22/h1,4-5,11,13,17H,2-3,6-10,12H2,(H,21,25)
• InChIKey: JIPMIZFCXCLAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(difluoromethoxy)phenyl]-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-[3-(difluoromethoxy)phenyl]-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
• Synonyms: N-[3-(difluoromethoxy)phenyl]-3-(morpholin-4-ylcarbonyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.970762
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7447766
• LogD (pH = 7.4): 1.7447758
• Log P: 1.744777
• Molar Refractivity: 94.7812 cm^3
• Polarizability: 35.496677 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.5
• LOG S: -3.28
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4