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Compound
3-[4-(4-Methylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
HCID
21989922
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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
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Related reactions
1 records
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HRID
1147947
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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