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Compound
Benzyl 4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
HCID
67194635
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Basic information
Standard SMILES
CC(C)(C)OC(=O)NC1CN(C(=O)OCc2ccccc2)CCC1C1CCCCC1
InChIKey
FWIPQHTZVBYOEU-UHFFFAOYSA-N
Molecular formula
C24H36N2O4
Average molar mass
416.6 g/mol
Monoisotopic mass
416.26750763
Names & identifiers
Preferred name
Benzyl 4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
IUPAC
benzyl 4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1871376
Database identifiers
PubChem CID
67194635
Properties
Computed structural properties
XLogP
5.5
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Formal charge
0
Complexity
562
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Related reactions
1 records
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As product
As reagent
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As solvent
HRID
816072
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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