N'-[(E)-(4-butoxyphenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
Basic information
- CAS
315194-58-2- Standard SMILES
CCCCOc1ccc(/C=N/NC(=O)C2CCCNC2=O)cc1- InChIKey
RFXZBQMXWOANIE-XDHOZWIPSA-N- Molecular formula
- C17H23N3O3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.1739416
Names & identifiers
- Preferred name
- N'-[(E)-(4-butoxyphenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
- IUPAC
- N-[(E)-(4-butoxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
Names & synonyms
N'-[(E)-(4-butoxyphenyl)methylidene]-2-oxopiperidine-3-carbohydrazide315194-58-2MLS000769254CHEMBL3190121DTXSID801332157STK332111AKOS005439378SMR000433988(E)-N'-(4-butoxybenzylidene)-2-oxopiperidine-3-carbohydrazideN-[(E)-(4-butoxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide2-Oxo-piperidine-3-carboxylic acid [1-(4-butoxy-phenyl)-meth-(E)-ylidene]-hydrazide
Database identifiers
- CAS
315194-58-2- PubChem CID
- 9662913
- DTXSID
DTXSID801332157- ChEMBL
CHEMBL3190121
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Solubility26.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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