(1,4'-Bipiperidine)-4'-carboxamide, 1'-(3-(p-fluorobenzoyl)propyl)-

Endpoint summary

Description of key information

Skin and eye irritation for the target Pipamperone was estimated by using ACD/Percepta

QSAR model and Toxtree decision rule system

Key value for chemical safety assessment

Skin irritation / corrosion

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not irritating)

Eye irritation

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not irritating)

Respiratory irritation

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Skin irritation

ACD/Percepta prediction	Toxtree prediction	WoE prediction
SKIN IRRITANT (Not reliable)	NOT SKIN IRRITANT (na*)	NOT SKIN IRRITANT (na*)

ACD/Percepta predicted Pipamperone as skin irritant, however the prediction was assessed as not reliable since no training compounds with similarity greater than 0.5 with respect to Pipamperone were found.

Toxtree identified three exclusion rules and one inclusion rule for the target Pipamperone. The exclusion rules are the following: i) compounds with melting point greater than 200°C (Pipamperone EPISuite/MPBPVP estimated melting point = 219.65°C); ii) compounds containing C, H, O, N and Halogen (Hal) atoms with molecular weight greater than 300 g/mol (Pipamperone MW = 375.48 g/mol); iii) compounds containing C, H, O, N and Halogen (Hal) atoms with aqueous solubility lower than 0.1 g/L (Pipamperone EPISuite/WSKOWWIN aqueous solubility = 0.08165 g/L). In addition, Toxtree identified the ketone structural alert. Since in the case of conflicting results (i.e. if an exclusion rule and an inclusion rule give contradicting predictions), the exclusion rule takes precedence, it was concluded that Toxtree predicted Pipamperone as not skin irritant. An assessment of the reliability of the prediction is not provided by Toxtree.

Eye irritation

Eye irritation predictions:

ACD/Percepta prediction	Toxtree prediction	WoE prediction
NOT EYE IRRITANT (Not reliable)	NOT EYE IRRITANT (na*)	NOT EYE IRRITANT (na*)

ACD/Percepta predicted Pipamperone as not eye irritant, however the prediction was assessed as not reliable since no training compounds with similarity greater than 0.5 with respect to Pipamperone were found.

Toxtree did not identify any inclusion rule, while it identified three exclusion rules: i) compounds with melting point greater than 200°C (Pipamperone EPISuite/MPBPVP estimated melting point = 219.65°C); ii) compounds containing C, H, O, N and Halogen (Hal) atoms with molecular weight greater than 300 g/mol (Pipamperone MW = 375.48 g/mol); iii) compounds containing C, H, O, N and Halogen (Hal) atoms with aqueous solubility lower than 0.1 g/L (Pipamperone EPISuite/WSKOWWIN aqueous solubility = 0.08165 g/L). Thus, it was concluded that Toxtree predicted Pipamperone as not eye irritant. An assessment of the reliability of the prediction is not provided by Toxtree

Justification for selection of skin irritation / corrosion endpoint:
In silico prediction

Justification for selection of eye irritation endpoint:
In silico prediction

Justification for classification or non-classification

The two predictors were employed in order to apply a weight of evidence (WoE) approach to enhance the reliability of the prediction. Since ACD/Percepta prediction resulted to be not reliable, based on Toxtree prediction, it was concluded Pipamperonewas predicted as not skin and eye irritant. A detailed assessment of the reliability of the weight of evidence prediction was not possible.