4-[1-(2,3,4-trimethoxybenzoyl)piperidin-3-yl]morpholine

• ChemBase ID: 408936
• Molecular Formular: C19H28N2O5
• Molecular Mass: 364.43602
• Monoisotopic Mass: 364.19982201
• SMILES: c1(C(=O)N2CC(N3CCOCC3)CCC2)c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)C(=O)N1CCCC(C1)N1CCOCC1
• InChI: InChI=1S/C19H28N2O5/c1-23-16-7-6-15(17(24-2)18(16)25-3)19(22)21-8-4-5-14(13-21)20-9-11-26-12-10-20/h6-7,14H,4-5,8-13H2,1-3H3
• InChIKey: IKWUVEOJUZYEDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2,3,4-trimethoxybenzoyl)piperidin-3-yl]morpholine
• IUPAC Traditional name: 4-[1-(2,3,4-trimethoxybenzoyl)piperidin-3-yl]morpholine
• Synonyms: 4-[1-(2,3,4-trimethoxybenzoyl)-3-piperidinyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.028804889
• LogD (pH = 7.4): 1.0055901
• Log P: 1.063933
• Molar Refractivity: 98.6242 cm^3
• Polarizability: 38.089066 Å^3
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.81
• LOG S: -0.38
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 2