CHEBI:145499 - 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one

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ChEBI Name 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one
ChEBI ID CHEBI:145499
Definition A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H29NO3
Net Charge 0
Average Mass 379.500
Monoisotopic Mass 379.21474
InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
InChIKey ADEBPBSSDYVVLD-UHFFFAOYSA-N
SMILES C1(=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)[H])OC)OC
ChEBI Ontology
Outgoing 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one (CHEBI:145499) is a aromatic ether (CHEBI:35618)
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one (CHEBI:145499) is a indanones (CHEBI:24789)
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one (CHEBI:145499) is a piperidines (CHEBI:26151)
Incoming (R)-donepezil (CHEBI:53292) is a 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one (CHEBI:145499)
(S)-donepezil (CHEBI:53290) is a 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one (CHEBI:145499)
IUPAC Name
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one
Last Modified
26 November 2019
General Comment
2019-11-26 Note that this is the entry for material with unspecified configuration. There are separate entries for the individual enantiomers [(R)-donepezil and (S)-donepezil] and for the racemate (donepezil).