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4-Aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(2-methoxyethyl)benzamide

HCID 19689858
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCN(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CN)cc1
InChIKey
WOEMYWMSNBKODT-UHFFFAOYSA-N
Molecular formula
C25H32FN3O3
Average molar mass
441.5 g/mol

Names & identifiers

Preferred name
4-Aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(2-methoxyethyl)benzamide
IUPAC
4-(aminomethyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyethyl)benzamide

Names & synonyms

SCHEMBL8711440WOEMYWMSNBKODT-UHFFFAOYSA-N4-Aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(2-methoxyethyl)benzamide

Database identifiers

PubChem CID
19689858

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
75.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
32
Formal charge
0
Complexity
581

Related reactions

2 records
New reaction record
HRID 2509 reaction equation
HRID 2509As reactantuspto-grants-1998_03
HRID 1569453 reaction equation
HRID 1569453As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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