Roluperidone
2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
Molecular Identity
Roluperidone
2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
PubChem CID: 9799284
2D Structure
Properties
C22H23FN2O2
Molecular Formula
366.40
Molecular Weight
g/mol
366.1744
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
40.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
538
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Roluperidone359625-79-9MIN-101 FREE BASERoluperidona4P31I0M3BFDTXSID101895121H-Isoindol-1-one, 2-((1-(2-(4-fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-oneroluperidonum2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one2-((1-(2-(4-FLUOROPHENYL)-2-OXOETHYL)PIPERIDIN-4-YL)METHYL)-2,3-DIHYDRO-1H-ISOINDOL-1-ONE2-[[1-[2-(4-Fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-2,3-dihydro-1H-isoindol-1-oneRefChem:883690DTXCID70112003CYR-101
Data from PubChem (NCBI)
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