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3-[4-(4-Methylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one

HCID 21989922
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC1CCN(CCCCn2c(=O)oc3ccccc32)CC1
InChIKey
WMEPWQYSRDDSDO-UHFFFAOYSA-N
Molecular formula
C17H24N2O2
Average molar mass
288.4 g/mol

Names & identifiers

Preferred name
3-[4-(4-Methylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
IUPAC
3-[4-(4-methylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one

Names & synonyms

SCHEMBL2149643

Database identifiers

PubChem CID
21989922

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
353

Related reactions

1 records
New reaction record
HRID 1147947 reaction equation
HRID 1147947As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes