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N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

HCID 87628049
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(c3ccc(F)cc3C)C2)CC1
InChIKey
JASIWXDDIGSJQE-UHFFFAOYSA-N
Molecular formula
C30H32F7N3O3
Average molar mass
615.6 g/mol

Names & identifiers

Preferred name
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
IUPAC
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

Names & synonyms

SCHEMBL4153548

Database identifiers

PubChem CID
87628049

Properties

Computed structural properties

XLogP
5
Topological polar surface area
60.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
43
Formal charge
0
Complexity
992

Related reactions

1 records
New reaction record
HRID 142329 reaction equation
HRID 142329As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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