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

• ChemBase ID: 849863
• Molecular Formular: C25H30N2O3
• Molecular Mass: 406.5173
• Monoisotopic Mass: 406.22564283
• SMILES: C(=O)(N1CCOCC1)c1cc(OC2CCN(CC2)C/C=C/c2ccccc2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C/C=C/c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C25H30N2O3/c28-25(27-16-18-29-19-17-27)22-9-4-10-24(20-22)30-23-11-14-26(15-12-23)13-5-8-21-6-2-1-3-7-21/h1-10,20,23H,11-19H2/b8-5+
• InChIKey: SDOKVZJVPNSXDC-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7618481
• LogD (pH = 7.4): 2.5288928
• Log P: 3.2562613
• Molar Refractivity: 120.8498 cm^3
• Polarizability: 46.127537 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.25
• LOG S: -3.79
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6