4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide

C12H15N3O3 — CID 142448588

IUPAC4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide
SMILESO=C1NCCC(O)C1C(=O)NNc1ccccc1
InChIInChI=1S/C12H15N3O3/c16-9-6-7-13-11(17)10(9)12(18)15-14-8-4-2-1-3-5-8/h1-5,9-10,14,16H,6-7H2,(H,13,17)(H,15,18)
InChIKeyGYDWIPLAJFBUQY-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.37
Rot. Bonds3

About 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide

4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide (PubChem CID 142448588) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide
PubChem CID142448588
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide
SMILESO=C1NCCC(O)C1C(=O)NNc1ccccc1
InChIInChI=1S/C12H15N3O3/c16-9-6-7-13-11(17)10(9)12(18)15-14-8-4-2-1-3-5-8/h1-5,9-10,14,16H,6-7H2,(H,13,17)(H,15,18)
InChIKeyGYDWIPLAJFBUQY-UHFFFAOYSA-N
XLogP-0.37
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide?
The IUPAC name of 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide (CID 142448588) is 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide is O=C1NCCC(O)C1C(=O)NNc1ccccc1.
What is the InChIKey of 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide?
The InChIKey is GYDWIPLAJFBUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-9-6-7-13-11(17)10(9)12(18)15-14-8-4-2-1-3-5-8/h1-5,9-10,14,16H,6-7H2,(H,13,17)(H,15,18).
What are the key properties of 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide?
4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide has a molecular weight of 249.27 g/mol, XLogP of -0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide is sourced from PubChem (CID 142448588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).