4-{1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidin-3-yl}morpholine

• ChemBase ID: 847674
• Molecular Formular: C20H23ClN2O3
• Molecular Mass: 374.86122
• Monoisotopic Mass: 374.13972029
• SMILES: c1(C(=O)N2CC(N3CCOCC3)CCC2)oc(c2c(Cl)cccc2)cc1
• Canonical SMILES: O=C(c1ccc(o1)c1ccccc1Cl)N1CCCC(C1)N1CCOCC1
• InChI: InChI=1S/C20H23ClN2O3/c21-17-6-2-1-5-16(17)18-7-8-19(26-18)20(24)23-9-3-4-15(14-23)22-10-12-25-13-11-22/h1-2,5-8,15H,3-4,9-14H2
• InChIKey: QMGOGUPTYNUFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidin-3-yl}morpholine
• IUPAC Traditional name: 4-{1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidin-3-yl}morpholine
• Synonyms: 4-{1-[5-(2-chlorophenyl)-2-furoyl]-3-piperidinyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8678116
• LogD (pH = 7.4): 2.731935
• Log P: 2.7684646
• Molar Refractivity: 101.444 cm^3
• Polarizability: 40.198997 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.62
• LOG S: -4.17
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 3