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3-[1-[1-(cyclopropanecarbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one (HCID 178432018)|Huagongshe
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Compound
3-[1-[1-(cyclopropanecarbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
HCID
178432018
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
CC1(N2CCC(N3C(=O)NC4CCCCC43)CC2)CCN(C(=O)C2CC2)CC1
InChIKey
NNBXAFHPUMFFFB-UHFFFAOYSA-N
Molecular formula
C22H36N4O2
Average molar mass
388.5 g/mol
Monoisotopic mass
388.2838264
Names & identifiers
IUPAC
3-[1-[1-(cyclopropanecarbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
Database identifiers
PubChem CID
74433179
Properties
Computed structural properties
XLogP
1.9
Topological polar surface area
55.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Formal charge
0
Complexity
618
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1 records
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As solvent
HRID
2149896
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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