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3-{2-[1-(6-Bromo-2-pyridyl)-4-piperidyl]ethyl}-1,3-oxazolidine-2,4-dione

HCID 21096964
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1COC(=O)N1CCC1CCN(c2cccc(Br)n2)CC1
InChIKey
UKPWBPSKEUJZAD-UHFFFAOYSA-N
Molecular formula
C15H18BrN3O3
Average molar mass
368.23 g/mol

Names & identifiers

Preferred name
3-{2-[1-(6-Bromo-2-pyridyl)-4-piperidyl]ethyl}-1,3-oxazolidine-2,4-dione
IUPAC
3-[2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione

Names & synonyms

SCHEMBL239296UKPWBPSKEUJZAD-UHFFFAOYSA-N3-{2-[1-(6-bromo-2-pyridyl)-4-piperidyl]ethyl}-1,3-oxazolidine-2,4-dione

Database identifiers

PubChem CID
21096964

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
426

Related reactions

3 records
New reaction record
HRID 305640 reaction equation
HRID 305640As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1350583 reaction equation
HRID 1350583As reactantuspto-grants-2007_05
HRID 1663052 reaction equation
HRID 1663052As reactantuspto-grants-2011_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes