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

• ChemBase ID: 553643
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: C(=O)(c1cocc1)N1CCC(N2CC(C(=O)NCCOC)CCC2)CC1
• Canonical SMILES: COCCNC(=O)C1CCCN(C1)C1CCN(CC1)C(=O)c1cocc1
• InChI: InChI=1S/C19H29N3O4/c1-25-12-7-20-18(23)15-3-2-8-22(13-15)17-4-9-21(10-5-17)19(24)16-6-11-26-14-16/h6,11,14-15,17H,2-5,7-10,12-13H2,1H3,(H,20,23)
• InChIKey: MPHNJRHLJBZGND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(furan-3-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-[1-(furan-3-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
• Synonyms: 1'-(3-furoyl)-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.570718
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3336983
• LogD (pH = 7.4): -2.0074358
• Log P: 0.037065938
• Molar Refractivity: 98.8846 cm^3
• Polarizability: 37.82504 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.26
• LOG S: -3.38
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 6