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

• ChemBase ID: 818000
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: C(=O)(c1cocc1)N1CCC(N2CC(C(=O)NC3CC3)CCC2)CC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)c1ccoc1)NC1CC1
• InChI: InChI=1S/C19H27N3O3/c23-18(20-16-3-4-16)14-2-1-8-22(12-14)17-5-9-21(10-6-17)19(24)15-7-11-25-13-15/h7,11,13-14,16-17H,1-6,8-10,12H2,(H,20,23)
• InChIKey: YUEFZFGEEQJJGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.546799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.801118
• LogD (pH = 7.4): -1.4253482
• Log P: 0.54960597
• Molar Refractivity: 95.0523 cm^3
• Polarizability: 36.386242 Å^3
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.47
• LOG S: -2.12
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 4