| CID | 1199961 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 632 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 7 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAA8YIAAAAAAAEgB0AAAHgAAAAAADQTBmAcyDoMABECIAqFSEAKCCAAkIAAIiAHOjMgfJjKEtT+nOSrkxhGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | [5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-2-furyl]-(4-methyl-1-piperidyl)methanone |
| pubchem_iupac_cas_name | [5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-2-furyl]-(4-methyl-1-piperidinyl)methanone |
| pubchem_iupac_systematic_name | [5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone |
| pubchem_iupac_traditional_name | [5-[[benzyl(piperonyl)amino]methyl]-2-furyl]-(4-methylpiperidino)methanone |
| pubchem_nist_inchi | InChI=1S/C27H30N2O4/c1-20-11-13-29(14-12-20)27(30)25-10-8-23(33-25)18-28(16-21-5-3-2-4-6-21)17-22-7-9-24-26(15-22)32-19-31-24/h2-10,15,20H,11-14,16-19H2,1H3 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 446.220557 |
| pubchem_molecular_formula | C27H30N2O4 |
| pubchem_molecular_weight | 446.5381 |
| pubchem_openeye_can_smiles | CC1CCN(CC1)C(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
| pubchem_openeye_iso_smiles | CC1CCN(CC1)C(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
| pubchem_cactvs_tpsa | 55.2 |
| pubchem_monoisotopic_weight | 446.220557 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 33 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_bondannotations | 1 14 8
1 16 8
14 17 8
16 20 8
17 20 8
21 23 8
21 24 8
22 28 8
22 29 8
23 25 8
24 27 8
25 26 8
26 27 8
28 31 8
29 32 8
31 33 8
32 33 8 |
