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1-(2-{4-[Bis(4-fluorophenyl)methylene]piperidin-1-yl}-2-oxoethyl)-3,3-diphenylpiperidin-2-one

HCID 67358928
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey
UJCVMEOKKBLWJY-UHFFFAOYSA-N
Molecular formula
C37H34F2N2O2
Average molar mass
576.7 g/mol
Monoisotopic mass
576.25883466

Names & identifiers

Preferred name
1-(2-{4-[Bis(4-fluorophenyl)methylene]piperidin-1-yl}-2-oxoethyl)-3,3-diphenylpiperidin-2-one
IUPAC
1-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one

Names & synonyms

SCHEMBL2310367UJCVMEOKKBLWJY-UHFFFAOYSA-N1-(2-{4-[bis(4-fluorophenyl)methylene]piperidin-1-yl}-2-oxoethyl)-3,3-diphenylpiperidin-2-one

Database identifiers

PubChem CID
67358928

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
43
Formal charge
0
Complexity
933

Related reactions

2 records
New reaction record
HRID 86501 reaction equation
HRID 86501As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1667214 reaction equation
HRID 1667214As productuspto-grants-2011_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes