2-[1-(4-Methoxy-2,6-dimethyl-phenylsulfonyl)-piperidin-2-ylmethoxy]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanone

HCID 24945574

Basic information

Standard SMILES
COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1
InChIKey
LLRDYAYGXUHNPL-UHFFFAOYSA-N
Molecular formula
C27H44N4O5S
Average molar mass
536.7 g/mol
Monoisotopic mass
536.30324169

Names & identifiers

Preferred name
2-[1-(4-Methoxy-2,6-dimethyl-phenylsulfonyl)-piperidin-2-ylmethoxy]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanone
IUPAC
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

Names & synonyms

1018820-22-8Ethanone, 2-[[1-[(4-methoxy-2,6-dimethylphenyl)sulfonyl]-2-piperidinyl]methoxy]-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-[1-(4-methoxy-2,6-dimethyl-phenylsulfonyl)-piperidin-2-ylmethoxy]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanoneSCHEMBL2565310LLRDYAYGXUHNPL-UHFFFAOYSA-N2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)methoxy)-1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)ethanone

Database identifiers

PubChem CID
24945574

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
91 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
37

Related reactions

3 records

Compound notes

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