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3-[1-(4-methyl-1-propanoylpiperidin-4-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one

HCID 178459959
NotesReactions
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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

Related reactions

1 records
New reaction record
HRID 307074 reaction equation
HRID 307074As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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