3-[4-(4-Methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester

HCID 67412082
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(c1ccc(N3CCN(S(C)(=O)=O)CC3)cc1)C2
InChIKey
QRUZVRSWYOFODE-UHFFFAOYSA-N
Molecular formula
C23H35N3O4S
Average molar mass
449.6 g/mol

Names & identifiers

Preferred name
3-[4-(4-Methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 3-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Names & synonyms

SCHEMBL2447544QRUZVRSWYOFODE-UHFFFAOYSA-N3-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67412082

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
78.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

Related reactions

4 records
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Compound notes

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