N-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 527021
• Molecular Formular: C20H32N2O4
• Molecular Mass: 364.47908
• Monoisotopic Mass: 364.23620751
• SMILES: C(=O)(NCC(COC1CCCCC1)O)C1CCN(Cc2occc2)CC1
• Canonical SMILES: OC(CNC(=O)C1CCN(CC1)Cc1ccco1)COC1CCCCC1
• InChI: InChI=1S/C20H32N2O4/c23-17(15-26-18-5-2-1-3-6-18)13-21-20(24)16-8-10-22(11-9-16)14-19-7-4-12-25-19/h4,7,12,16-18,23H,1-3,5-6,8-11,13-15H2,(H,21,24)
• InChIKey: NBXYNSPMQJLKRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-(2-furylmethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.06781
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1446878
• LogD (pH = 7.4): 0.6261697
• Log P: 1.5866934
• Molar Refractivity: 100.1126 cm^3
• Polarizability: 39.25989 Å^3
• Polar Surface Area: 74.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.0
• LOG S: -3.56
• Polar Surface Area: 74.94 Å^2
• Rotatable Bonds: 8