1.0 2010-04-08 22:13:28 UTC 2019-11-26 03:15:36 UTC FDB018039 (2E,4E,8E)-Piperamide-C9:3 Constituent of pepper fruits (Piper nigrum, Piperaceae). (2E,4E,8E)-Piperamide-C9:3 is found in herbs and spices and pepper (spice). Piperamide-C9:3 (2E,4E,8E) C20H23NO3 325.4015 325.167793607 (2E,4E,8Z)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one (2E,4E,8Z)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one 117137-68-5 O=C(\C=C\C=C\CC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1 InChI=1S/C20H23NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h2,4-6,9-12,15H,1,3,7-8,13-14,16H2/b4-2+,9-5-,10-6+ XWQSYLYFCJTIEL-JWXNOOABSA-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 4.40 ALOGPS logs -4.63 ALOGPS solubility 7.66e-03 g/l ALOGPS melting_point Mp 105-106° logp 3.75 ChemAxon pka_strongest_basic 2.07 ChemAxon iupac (2E,4E,8Z)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one ChemAxon average_mass 325.4015 ChemAxon mono_mass 325.167793607 ChemAxon smiles O=C(\C=C\C=C\CC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1 ChemAxon formula C20H23NO3 ChemAxon inchi InChI=1S/C20H23NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h2,4-6,9-12,15H,1,3,7-8,13-14,16H2/b4-2+,9-5-,10-6+ ChemAxon inchikey XWQSYLYFCJTIEL-JWXNOOABSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 97.82 ChemAxon polarizability 36.79 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23090 Specdb::CMs 136032 Specdb::CMs 143766 Specdb::MsMs 107865 Specdb::MsMs 107866 Specdb::MsMs 107867 Specdb::MsMs 174954 Specdb::MsMs 174955 Specdb::MsMs 174956 Specdb::MsMs 2343578 Specdb::MsMs 2343579 Specdb::MsMs 2343580 Specdb::MsMs 2595028 Specdb::MsMs 2595029 Specdb::MsMs 2595030 HMDB38644 #<Reference:0x000055ce3181e2c8> Herbs and Spices Unknown generic Pepper (Spice) Type 1 specific Piper nigrum 13216