N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-3-phenoxypropanamide

• ChemBase ID: 335347
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: C(=O)(N1CCC(NC(=O)CCOc2ccccc2)CC1)N1CCOCC1
• Canonical SMILES: O=C(NC1CCN(CC1)C(=O)N1CCOCC1)CCOc1ccccc1
• InChI: InChI=1S/C19H27N3O4/c23-18(8-13-26-17-4-2-1-3-5-17)20-16-6-9-21(10-7-16)19(24)22-11-14-25-15-12-22/h1-5,16H,6-15H2,(H,20,23)
• InChIKey: XSSUKLBUCLODKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-3-phenoxypropanamide
• IUPAC Traditional name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-3-phenoxypropanamide
• Synonyms: N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]-3-phenoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.506245
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.096310444
• LogD (pH = 7.4): 0.09631065
• Log P: 0.09631066
• Molar Refractivity: 97.291 cm^3
• Polarizability: 37.76729 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.79
• LOG S: -2.51
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 5