4-[(4-{[1-(furan-3-carbonyl)piperidin-3-yl]methoxy}phenyl)methyl]morpholine

• ChemBase ID: 405887
• Molecular Formular: C22H28N2O4
• Molecular Mass: 384.46872
• Monoisotopic Mass: 384.20490739
• SMILES: C(=O)(N1CC(COc2ccc(CN3CCOCC3)cc2)CCC1)c1cocc1
• Canonical SMILES: O=C(c1cocc1)N1CCCC(C1)COc1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C22H28N2O4/c25-22(20-7-11-27-17-20)24-8-1-2-19(15-24)16-28-21-5-3-18(4-6-21)14-23-9-12-26-13-10-23/h3-7,11,17,19H,1-2,8-10,12-16H2
• InChIKey: OUGMKOPJRKMOKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-{[1-(furan-3-carbonyl)piperidin-3-yl]methoxy}phenyl)methyl]morpholine
• IUPAC Traditional name: 4-[(4-{[1-(furan-3-carbonyl)piperidin-3-yl]methoxy}phenyl)methyl]morpholine
• Synonyms: 4-(4-{[1-(3-furoyl)-3-piperidinyl]methoxy}benzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0534458
• LogD (pH = 7.4): 2.20781
• Log P: 2.2887487
• Molar Refractivity: 107.7638 cm^3
• Polarizability: 41.322197 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: 2.08
• LOG S: -1.89
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 6