1.0 2010-04-08 22:14:06 UTC 2019-11-26 03:17:02 UTC FDB019058 Dipiperamide C Alkaloid from white pepper, Piper nigrum. Dipiperamide C is found in herbs and spices. C33H36N2O6 556.6487 556.257336894 1-{2,3-bis[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-(pyrrolidine-1-carbonyl)cyclobutanecarbonyl}piperidine 1-{2,3-bis[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-(pyrrolidine-1-carbonyl)cyclobutanecarbonyl}piperidine O=C(C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(\C=C\C2=CC3=C(OCO3)C=C2)C1C(=O)N1CCCCC1)N1CCCC1 InChI=1S/C33H36N2O6/c36-32(34-14-2-1-3-15-34)30-24(10-6-22-8-12-26-28(18-22)40-20-38-26)25(31(30)33(37)35-16-4-5-17-35)11-7-23-9-13-27-29(19-23)41-21-39-27/h6-13,18-19,24-25,30-31H,1-5,14-17,20-21H2/b10-6+,11-7+ MCEKBNRLKGLRNJ-JMQWPVDRSA-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-acylpiperidines 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-acyl-piperidine N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Piperidine Pyrrolidine Styrene Tertiary carboxylic acid amide logp 4.30 ALOGPS logs -5.08 ALOGPS solubility 4.61e-03 g/l ALOGPS logp 4.07 ChemAxon pka_strongest_basic 0.48 ChemAxon iupac 1-{2,3-bis[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-(pyrrolidine-1-carbonyl)cyclobutanecarbonyl}piperidine ChemAxon average_mass 556.6487 ChemAxon mono_mass 556.257336894 ChemAxon smiles O=C(C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(\C=C\C2=CC3=C(OCO3)C=C2)C1C(=O)N1CCCCC1)N1CCCC1 ChemAxon formula C33H36N2O6 ChemAxon inchi InChI=1S/C33H36N2O6/c36-32(34-14-2-1-3-15-34)30-24(10-6-22-8-12-26-28(18-22)40-20-38-26)25(31(30)33(37)35-16-4-5-17-35)11-7-23-9-13-27-29(19-23)41-21-39-27/h6-13,18-19,24-25,30-31H,1-5,14-17,20-21H2/b10-6+,11-7+ ChemAxon inchikey MCEKBNRLKGLRNJ-JMQWPVDRSA-N ChemAxon polar_surface_area 77.54 ChemAxon refractivity 155.26 ChemAxon polarizability 61.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16867 Specdb::MsMs 110262 Specdb::MsMs 110263 Specdb::MsMs 110264 Specdb::MsMs 177888 Specdb::MsMs 177889 Specdb::MsMs 177890 Specdb::MsMs 2466818 Specdb::MsMs 2466819 Specdb::MsMs 2466820 Specdb::MsMs 2496137 Specdb::MsMs 2496138 Specdb::MsMs 2496139 HMDB39457 #<Reference:0x000055ce3191db10> Herbs and Spices Unknown generic