In the present study, jamun seed waste has been explored for the removal of Pb(II) ions from aqueous solution. The multi-variant sorption optimization was achieved by the factorial design approach. 99.91% of Pb(II) ions was removed from aqueous solution. The results predicted by the model were in good agreement with the experimental results (the values of R2 and R2adj. were found to be 99.89% and 99.95%, respectively). Langmuir and D-R isotherm studies were carried out to find adsorbent’s capacities (183.9 ± 0.31 mg/g and 184.5 ± 0.16 mg/g respectively), sorption free energy 13.17 ± 0.16 and RL values in the range of 0.05-0.77, suggested the favorable chemical and/or ion exchange nature of the sorption process. The FT-IR study was carried out for unloaded and Pb(II) ions loaded jamun seed, indicated, Pb(II) ions associated with nitrogen and oxygen of jamun seed containing moieties during the adsorption process. The proposed method was successfully validated and applied for the treatment of Pb(II) ions contaminating drinking water.