1.0 2010-04-08 22:14:55 UTC 2015-07-21 06:44:16 UTC FDB020288 Dipiperamide E Alkaloid from white pepper, Piper nigrum C34H38N2O6 570.6753 570.272986958 (2E)-3-[2-(2H-1,3-benzodioxol-5-yl)-4-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-(piperidin-1-yl)prop-2-en-1-one (2E)-3-[2-(2H-1,3-benzodioxol-5-yl)-4-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-(piperidin-1-yl)prop-2-en-1-one O=C(\C=C\C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(C1C1=CC=C2OCOC2=C1)C(=O)N1CCCCC1)N1CCCCC1 InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)14-11-25-26(10-7-23-8-12-27-29(19-23)41-21-39-27)33(34(38)36-17-5-2-6-18-36)32(25)24-9-13-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,32-33H,1-6,15-18,21-22H2/b10-7+,14-11+ MWYIPUPDBMGRSR-APBFJCRLSA-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 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 Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Piperidine Styrene Tertiary carboxylic acid amide logp 4.90 ALOGPS logs -5.29 ALOGPS solubility 2.93e-03 g/l ALOGPS logp 4.53 ChemAxon pka_strongest_basic 2.76 ChemAxon iupac (2E)-3-[2-(2H-1,3-benzodioxol-5-yl)-4-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-(piperidin-1-yl)prop-2-en-1-one ChemAxon average_mass 570.6753 ChemAxon mono_mass 570.272986958 ChemAxon smiles O=C(\C=C\C1C(\C=C\C2=CC3=C(OCO3)C=C2)C(C1C1=CC=C2OCOC2=C1)C(=O)N1CCCCC1)N1CCCCC1 ChemAxon formula C34H38N2O6 ChemAxon inchi InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)14-11-25-26(10-7-23-8-12-27-29(19-23)41-21-39-27)33(34(38)36-17-5-2-6-18-36)32(25)24-9-13-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,32-33H,1-6,15-18,21-22H2/b10-7+,14-11+ ChemAxon inchikey MWYIPUPDBMGRSR-APBFJCRLSA-N ChemAxon polar_surface_area 77.54 ChemAxon refractivity 159.81 ChemAxon polarizability 63.86 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16257 Specdb::MsMs 301987 Specdb::MsMs 301988 Specdb::MsMs 301989 Specdb::MsMs 344605 Specdb::MsMs 344606 Specdb::MsMs 344607 Specdb::MsMs 2663713 Specdb::MsMs 2663714 Specdb::MsMs 2663715 Specdb::MsMs 3015225 Specdb::MsMs 3015226 Specdb::MsMs 3015227 HMDB40522 #<Reference:0x000055ce3231be28>