Azd-6088
ethyl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidin-1-yl]-4-methylpiperidine-1-carboxylate
Molecular Identity
Azd-6088
ethyl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidin-1-yl]-4-methylpiperidine-1-carboxylate
PubChem CID: 25221108
2D Structure
Properties
C21H36N4O3
Molecular Formula
392.50
Molecular Weight
g/mol
392.2787
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
65.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
582
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)N1CCC(CC1)(C)N2CCC(CC2)N3C4CCCCC4NC3=OIsomeric SMILES
SMILES: CCOC(=O)N1CCC(CC1)(C)N2CCC(CC2)N3[C@H]4CCCC[C@@H]4NC3=OSynonyms(20)
AZD6088AZD-6088T83BJV98CMAZD 60881131451-23-4propan-2-yl 4-(4-((3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl)piperidin-1-yl)-4-methylpiperidine-1-carboxylatepropan-2-yl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidin-1-yl]-4-methylpiperidine-1-carboxylateRefChem:116011UNII-T83BJV98CMAZD-6088 [WHO-DD](1,4'-Bipiperidine)-1'-carboxylic acid, 4'-methyl-4-((3aS,7aS)-octahydro-2-oxo-1H-benzimidazol-1-yl)-, ethyl esterEthyl 4'-methyl-4-((3aS,7aS)-octahydro-2-oxo-1H-benzimidazol-1-yl)(1,4'-bipiperidine)-1'-carboxylateethyl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzoimidazol-1-yl]-1-piperidyl]-4-methyl-piperidine-1-carboxylateSCHEMBL647335GTPL7822
Data from PubChem (NCBI)
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