A new psychoactive substance (NPS) is described as a new narcotic or psychotropic drug, in pure form or in formulations/preparation, that is not controlled by the United Nations drug conventions. Unfortunately, these drugs or substances of abuse might cause public health hazards comparable to that caused by the controlled or banned substances of abuse. The new psychoactive substances are referred to as the “legal highs”, “bath salts” and “research chemicals”. These new psychoactive substances induce agitation, aggression, acute psychosis, seizures, and lead to a prospective substance of dependence. People exposed to new psychoactive substances have regularly been hospitalized with serious intoxications. Regrettably, the safety profile on the poisonousness and carcinogenic capability of many new psychoactive substances are not existing or is very inadequate, and knowledge of the chronic adverse drug reactions or hazardous consequences is even now essentially unidentified. Hence, in this study, we designed, synthesized, and characterized “New Piperazine Psychoactive Substances” and further in-silico and in vitro studies on dopaminergic neurons were carried out.