4-[5-(4-Methanesulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester

HCID 67973453

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc3O2)CC1
InChIKey
ZAQBCFSHJZABSN-UHFFFAOYSA-N
Molecular formula
C24H30N2O5S
Average molar mass
458.6 g/mol
Monoisotopic mass
458.18754324

Names & identifiers

Preferred name
4-[5-(4-Methanesulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL9936533ZAQBCFSHJZABSN-UHFFFAOYSA-N1382133-33-64-[5-(4-methanesulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl esterDB-2186694-[5-(4-methanesulfonyl-phenyl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67973453

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
94.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
32

Related reactions

5 records

Compound notes

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