Molecular Identity
donepezil
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
PubChem CID: 3152
Donepezil is a racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a nootropic agent. It contains a (S)-donepezil and a (R)-donepezil. It is a conjugate base of a donepezil (1+).
2D Structure
Properties
C24H29NO3
Molecular Formula
379.50
Molecular Weight
g/mol
379.2147
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
38.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
510
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
donepezil120014-06-4donepeziloDonazdonepezilumDomepezil8SSC91326PD-7971H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-DTXSID8048317CHEBI:532891H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-donezpil hydrochloride5,6-dimethoxy-2-((1-(phenylmethyl)piperidin-4-yl)methyl)-2,3-dihydroinden-1-one5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to donepezil
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