4-(3-{[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]oxy}benzoyl)morpholine

• ChemBase ID: 558317
• Molecular Formular: C25H26N2O5
• Molecular Mass: 434.48434
• Monoisotopic Mass: 434.18417194
• SMILES: c1(C(=O)N2CCC(Oc3cc(C(=O)N4CCOCC4)ccc3)CC2)oc2c(c1)cccc2
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C(=O)c1cc2c(o1)cccc2)N1CCOCC1
• InChI: InChI=1S/C25H26N2O5/c28-24(27-12-14-30-15-13-27)19-5-3-6-21(16-19)31-20-8-10-26(11-9-20)25(29)23-17-18-4-1-2-7-22(18)32-23/h1-7,16-17,20H,8-15H2
• InChIKey: UPCMUCVSMIGWCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]oxy}benzoyl)morpholine
• IUPAC Traditional name: 4-(3-{[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]oxy}benzoyl)morpholine
• Synonyms: 4-(3-{[1-(1-benzofuran-2-ylcarbonyl)-4-piperidinyl]oxy}benzoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0820658
• LogD (pH = 7.4): 2.082066
• Log P: 2.082066
• Molar Refractivity: 119.5789 cm^3
• Polarizability: 46.46184 Å^3
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.03
• LOG S: -4.38
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 4