N3-[(7-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 316792
• Molecular Formular: C19H27N3O5
• Molecular Mass: 377.43478
• Monoisotopic Mass: 377.19507098
• SMILES: C(=O)(N1CC(C(=O)NCc2c(cc3c(c2)OCCO3)OC)CCC1)N(C)C
• Canonical SMILES: COc1cc2OCCOc2cc1CNC(=O)C1CCCN(C1)C(=O)N(C)C
• InChI: InChI=1S/C19H27N3O5/c1-21(2)19(24)22-6-4-5-13(12-22)18(23)20-11-14-9-16-17(10-15(14)25-3)27-8-7-26-16/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,23)
• InChIKey: FUDAOMICMVYEAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[(7-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[(7-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[(7-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.077591
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.25655615
• LogD (pH = 7.4): 0.25655633
• Log P: 0.25655633
• Molar Refractivity: 99.7094 cm^3
• Polarizability: 38.45529 Å^3
• Polar Surface Area: 80.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.76
• LOG S: -2.6
• Polar Surface Area: 80.34 Å^2
• Rotatable Bonds: 4