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Compound
3-[1-(4-methyl-1-propanoylpiperidin-4-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
HCID
178459959
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Basic information
Standard SMILES
CCC(=O)N1CCC(C)(N2CCC(N3C(=O)NC4CCCCC43)CC2)CC1
InChIKey
AQFWXNVSYIPMHD-UHFFFAOYSA-N
Molecular formula
C21H36N4O2
Average molar mass
376.5 g/mol
Monoisotopic mass
376.2838264
Names & identifiers
IUPAC
3-[1-(4-methyl-1-propanoylpiperidin-4-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
Database identifiers
PubChem CID
74433234
Properties
Computed structural properties
XLogP
2
Topological polar surface area
55.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Formal charge
0
Complexity
565
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HRID
307074
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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