18033 <common-name>Troxipide</common-name> <description nil="true"/> <cas>30751-05-4</cas> <pubchem-id nil="true"/> <chemical-formula>C15H22N2O4</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T03:47:53Z</created-at> <updated-at type="dateTime">2026-05-14T19:33:14Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB13419</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COC1=CC(=CC(OC)=C1OC)C(O)=NC1CCCNC1</moldb-smiles> <moldb-formula>C15H22N2O4</moldb-formula> <moldb-inchi>InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)</moldb-inchi> <moldb-inchikey>YSIITVVESCNIPR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">294.351</moldb-average-mass> <moldb-mono-mass type="decimal">294.157957196</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.68</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM016928</chemdb-id> <dsstox-id>DTXSID2023725</dsstox-id> <toxcast-id>23725</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00127030</susdat-id> <iupac>3,4,5-trimethoxy-N-(piperidin-3-yl)benzamide</iupac> <moldb-polar-surface-area>72.31000000000002</moldb-polar-surface-area> <moldb-refractivity>79.88000000000001</moldb-refractivity> <moldb-polarizability>32.10222070701064</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>7.57652984250852</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.785723329666638</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.40</moldb-alogps-logp> <moldb-alogps-logs>-2.95</moldb-alogps-logs> <moldb-alogps-solubility>3.27e-01 g/l</moldb-alogps-solubility> </compound>