4-[3-({1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]piperidin-4-yl}oxy)benzoyl]morpholine

• ChemBase ID: 724162
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: C(=O)(N1CCOCC1)c1cc(OC2CCN(C/C(=C/c3occc3)/C)CC2)ccc1
• Canonical SMILES: C/C(=C\c1ccco1)/CN1CCC(CC1)Oc1cccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C24H30N2O4/c1-19(16-22-6-3-13-29-22)18-25-9-7-21(8-10-25)30-23-5-2-4-20(17-23)24(27)26-11-14-28-15-12-26/h2-6,13,16-17,21H,7-12,14-15,18H2,1H3/b19-16+
• InChIKey: BBUJROGRWXXRNN-KNTRCKAVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-({1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]piperidin-4-yl}oxy)benzoyl]morpholine
• IUPAC Traditional name: 4-[3-({1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]piperidin-4-yl}oxy)benzoyl]morpholine
• Synonyms: 4-[3-({1-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-4-piperidinyl}oxy)benzoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3029275
• LogD (pH = 7.4): 2.0288677
• Log P: 2.5598693
• Molar Refractivity: 117.5227 cm^3
• Polarizability: 44.83184 Å^3
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.0
• LOG S: -3.52
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 6