1.0 2010-04-08 22:07:13 UTC 2025-11-18 23:02:21 UTC FDB006610 6-trans-Piperamide-C-7-1 6-trans-piperamide-c-7-1 is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. 6-trans-piperamide-c-7-1 is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 6-trans-piperamide-c-7-1 can be found in pepper (spice), which makes 6-trans-piperamide-c-7-1 a potential biomarker for the consumption of this food product. C18H23NO3 301.3801 301.167793607 (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)hept-6-en-1-one (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)hept-6-en-1-one O=C(CCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCC1 InChI=1S/C18H23NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3,7,9-10,13H,1-2,4-6,8,11-12,14H2/b7-3+ UUHCCOYKUNWUQJ-XVNBXDOJSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives N-acylpyrrolidines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Styrenes Tertiary carboxylic acid amides Acetal Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrolidine Styrene Tertiary carboxylic acid amide logp 3.77 ALOGPS logs -3.60 ALOGPS solubility 7.64e-02 g/l ALOGPS logp 3.22 ChemAxon pka_strongest_basic 0.12 ChemAxon iupac (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)hept-6-en-1-one ChemAxon average_mass 301.3801 ChemAxon mono_mass 301.167793607 ChemAxon smiles O=C(CCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCC1 ChemAxon formula C18H23NO3 ChemAxon inchi InChI=1S/C18H23NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3,7,9-10,13H,1-2,4-6,8,11-12,14H2/b7-3+ ChemAxon inchikey UUHCCOYKUNWUQJ-XVNBXDOJSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 86.41 ChemAxon polarizability 34.89 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 42747 Specdb::MsMs 42748 Specdb::MsMs 42749 Specdb::MsMs 165795 Specdb::MsMs 165796 Specdb::MsMs 165797 Specdb::MsMs 3603149 Specdb::MsMs 3603150 Specdb::MsMs 3603151 Specdb::MsMs 3604025 Specdb::MsMs 3604026 Specdb::MsMs 3604027 Pepper (Spice) Type 1 specific Piper nigrum 13216