N-(2,4-dimethoxyphenyl)-3-(morpholin-4-yl)piperidine-1-carboxamide

• ChemBase ID: 771648
• Molecular Formular: C18H27N3O4
• Molecular Mass: 349.42468
• Monoisotopic Mass: 349.20015636
• SMILES: C(=O)(N1CC(N2CCOCC2)CCC1)Nc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)N1CCCC(C1)N1CCOCC1
• InChI: InChI=1S/C18H27N3O4/c1-23-15-5-6-16(17(12-15)24-2)19-18(22)21-7-3-4-14(13-21)20-8-10-25-11-9-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H,19,22)
• InChIKey: YJCFXWLWIFJUNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethoxyphenyl)-3-(morpholin-4-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2,4-dimethoxyphenyl)-3-(morpholin-4-yl)piperidine-1-carboxamide
• Synonyms: N-(2,4-dimethoxyphenyl)-3-(4-morpholinyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.192128
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.033968445
• LogD (pH = 7.4): 1.1798143
• Log P: 1.2751288
• Molar Refractivity: 96.6223 cm^3
• Polarizability: 36.896984 Å^3
• Polar Surface Area: 63.27 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: 1.49
• LOG S: -2.02
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 2