N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 498887
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: C1(C(=O)NCCc2nc(cc(n2)C)C)CN(Cc2occc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)NCCc1nc(C)cc(n1)C
• InChI: InChI=1S/C19H26N4O2/c1-14-11-15(2)22-18(21-14)7-8-20-19(24)16-5-3-9-23(12-16)13-17-6-4-10-25-17/h4,6,10-11,16H,3,5,7-9,12-13H2,1-2H3,(H,20,24)
• InChIKey: BDGXKOMYPHZQLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-1-(2-furylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.099328
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5139853
• LogD (pH = 7.4): 0.25461307
• Log P: 1.4663744
• Molar Refractivity: 96.6084 cm^3
• Polarizability: 37.105762 Å^3
• Polar Surface Area: 71.26 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: 1.2
• LOG S: -2.72
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6