4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide

C14H16FN3O3 — CID 3121381

IUPAC4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(F)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H16FN3O3/c15-11-6-4-10(5-7-11)12(19)16-17-13(20)14(21)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2,(H,16,19)(H,17,20)
InChIKeyDXGYROWXSLGEGP-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.60
Rot. Bonds1

About 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide

4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide (PubChem CID 3121381) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
PubChem CID3121381
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(F)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H16FN3O3/c15-11-6-4-10(5-7-11)12(19)16-17-13(20)14(21)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2,(H,16,19)(H,17,20)
InChIKeyDXGYROWXSLGEGP-UHFFFAOYSA-N
XLogP0.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide (CID 3121381) is 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide is O=C(NNC(=O)c1ccc(F)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The InChIKey is DXGYROWXSLGEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c15-11-6-4-10(5-7-11)12(19)16-17-13(20)14(21)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2,(H,16,19)(H,17,20).
What are the key properties of 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide has a molecular weight of 293.30 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 3121381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).