(1R,2S,5R,6S)-2,6-bis(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
AlkaPlorer ID: AK022871
Synonym: None
IUPAC Name: (1R,2S,5R,6S)-2,6-bis(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
Structure
SMILES: CC(C)CN=C(O)[C@H]1[C@H](C2=CC=C3OCOC3=C2)[C@H](C(=O)N2CCCCC2)C=C[C@@H]1C1=CC=C2OCOC2=C1
InChI: InChI=1S/C31H36N2O6/c1-19(2)16-32-30(34)29-22(20-6-10-24-26(14-20)38-17-36-24)8-9-23(31(35)33-12-4-3-5-13-33)28(29)21-7-11-25-27(15-21)39-18-37-25/h6-11,14-15,19,22-23,28-29H,3-5,12-13,16-18H2,1-2H3,(H,32,34)/t22-,23-,28-,29-/m1/s1
InChIKey: ZZNJMZOPONKQDU-JQDNXDNNSA-N
Source
Properties Information
Molecule Weight: 532.6370000000004
TPSA?: 89.82000000000001
MolLogP?: 5.438600000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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