4-({4-[4-(pyridin-4-yl)piperazine-1-carbonyl]furan-2-yl}methyl)morpholine

• ChemBase ID: 461223
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(C(=O)N2CCN(c3ccncc3)CC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)N1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C19H24N4O3/c24-19(16-13-18(26-15-16)14-21-9-11-25-12-10-21)23-7-5-22(6-8-23)17-1-3-20-4-2-17/h1-4,13,15H,5-12,14H2
• InChIKey: IQZDVNRKIUTAKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({4-[4-(pyridin-4-yl)piperazine-1-carbonyl]furan-2-yl}methyl)morpholine
• IUPAC Traditional name: 4-({4-[4-(pyridin-4-yl)piperazine-1-carbonyl]furan-2-yl}methyl)morpholine
• Synonyms: 4-({4-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]-2-furyl}methyl)morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0
• Log P: -0.59
• LOG S: -2.6
• Polar Surface Area: 62.05 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.73791337
• LogD (pH = 7.4): -0.2658506
• Log P: 0.57494855
• Molar Refractivity: 99.3296 cm^3
• Polarizability: 37.21779 Å^3
• Polar Surface Area: 62.05 Å^2
• Rotatable Bonds: 4