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4-[3-(4-Propoxypiperidin-1-yl)propyl]-4H-benzo[1,4]oxazin-3-one

HCID 10125833
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCOC1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChIKey
OUJDCAUCOKCBJE-UHFFFAOYSA-N
Molecular formula
C19H28N2O3
Average molar mass
332.4 g/mol

Names & identifiers

Preferred name
4-[3-(4-Propoxypiperidin-1-yl)propyl]-4H-benzo[1,4]oxazin-3-one
IUPAC
4-[3-(4-propoxypiperidin-1-yl)propyl]-1,4-benzoxazin-3-one

Names & synonyms

SCHEMBL4106077OUJDCAUCOKCBJE-UHFFFAOYSA-N4-[3-(4-Propoxypiperidin-1-yl)propyl]-4H-benzo[1,4]oxazin-3-one

Database identifiers

PubChem CID
10125833

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
42 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Formal charge
0
Complexity
396

Related reactions

6 records
New reaction record
HRID 969371 reaction equation
HRID 969371As productuspto-grants-2007_12
HRID 1145490 reaction equation
HRID 1145490As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1191403 reaction equation
HRID 1191403As productuspto-grants-2014_03
HRID 1986736 reaction equation
HRID 1986736As productuspto-grants-2009_06
HRID 2102568 reaction equation
HRID 2102568As productuspto-grants-2009_08
HRID 2103227 reaction equation
HRID 2103227As productuspto-grants-2009_08

Compound notes

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