N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

• ChemBase ID: 472630
• Molecular Formular: C19H27N3O5
• Molecular Mass: 377.43478
• Monoisotopic Mass: 377.19507098
• SMILES: N1(C(=O)c2occc2)CC(NC(=O)C2CCN(C(=O)COC)CC2)CCC1
• Canonical SMILES: COCC(=O)N1CCC(CC1)C(=O)NC1CCCN(C1)C(=O)c1ccco1
• InChI: InChI=1S/C19H27N3O5/c1-26-13-17(23)21-9-6-14(7-10-21)18(24)20-15-4-2-8-22(12-15)19(25)16-5-3-11-27-16/h3,5,11,14-15H,2,4,6-10,12-13H2,1H3,(H,20,24)
• InChIKey: DVYCVAFRMUBVGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
• Synonyms: N-[1-(2-furoyl)-3-piperidinyl]-1-(methoxyacetyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.01403
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6416894
• LogD (pH = 7.4): -0.6416892
• Log P: -0.6416892
• Molar Refractivity: 98.3764 cm^3
• Polarizability: 37.574337 Å^3
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.48
• LOG S: -2.85
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 5