4-[3-({1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl}oxy)benzoyl]morpholine

• ChemBase ID: 582710
• Molecular Formular: C26H30N2O4
• Molecular Mass: 434.5274
• Monoisotopic Mass: 434.22055745
• SMILES: [C@@H]1([C@@H](C1)c1ccccc1)C(=O)N1CCC(Oc2cc(C(=O)N3CCOCC3)ccc2)CC1
• Canonical SMILES: O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)Oc1cccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C26H30N2O4/c29-25(28-13-15-31-16-14-28)20-7-4-8-22(17-20)32-21-9-11-27(12-10-21)26(30)24-18-23(24)19-5-2-1-3-6-19/h1-8,17,21,23-24H,9-16,18H2/t23-,24+/m0/s1
• InChIKey: DINZVTBPWGAKFB-BJKOFHAPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-({1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl}oxy)benzoyl]morpholine
• IUPAC Traditional name: 4-[3-({1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl}oxy)benzoyl]morpholine
• Synonyms: 4-{3-[(1-{[(1R*,2R*)-2-phenylcyclopropyl]carbonyl}-4-piperidinyl)oxy]benzoyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.349386
• LogD (pH = 7.4): 2.3493862
• Log P: 2.3493862
• Molar Refractivity: 122.2326 cm^3
• Polarizability: 47.087048 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.56
• LOG S: -4.25
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5