1-(furan-2-ylmethyl)-N-(oxan-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 747114
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: C(=O)(NCC1OCCCC1)C1CCN(Cc2occc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)Cc1ccco1)NCC1CCCCO1
• InChI: InChI=1S/C17H26N2O3/c20-17(18-12-15-4-1-2-10-21-15)14-6-8-19(9-7-14)13-16-5-3-11-22-16/h3,5,11,14-15H,1-2,4,6-10,12-13H2,(H,18,20)
• InChIKey: CVPAMTRPGVBZSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-(oxan-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-(oxan-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-(tetrahydro-2H-pyran-2-ylmethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.353418
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4034902
• LogD (pH = 7.4): 0.3673674
• Log P: 1.327891
• Molar Refractivity: 84.9481 cm^3
• Polarizability: 33.108616 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: 0.71
• LOG S: -2.04