methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate

C18H24FN3O3 — CID 10337879

IUPACmethyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate
SMILESCOC(=O)CCCC(=O)/C(=N\Nc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H24FN3O3/c1-25-17(24)7-5-6-16(23)18(22-12-3-2-4-13-22)21-20-15-10-8-14(19)9-11-15/h8-11,20H,2-7,12-13H2,1H3/b21-18+
InChIKeyWAMXHIPUVWFAPD-DYTRJAOYSA-N
MW349.41 g/mol
LogP2.95
Rot. Bonds7

About methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate

methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate (PubChem CID 10337879) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate.

Molecular Properties

Compound Namemethyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate
PubChem CID10337879
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Namemethyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate
SMILESCOC(=O)CCCC(=O)/C(=N\Nc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H24FN3O3/c1-25-17(24)7-5-6-16(23)18(22-12-3-2-4-13-22)21-20-15-10-8-14(19)9-11-15/h8-11,20H,2-7,12-13H2,1H3/b21-18+
InChIKeyWAMXHIPUVWFAPD-DYTRJAOYSA-N
XLogP2.95
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate?
The IUPAC name of methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate (CID 10337879) is methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate.
What is the SMILES notation for methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate?
The canonical SMILES for methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate is COC(=O)CCCC(=O)/C(=N\Nc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate?
The InChIKey is WAMXHIPUVWFAPD-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-25-17(24)7-5-6-16(23)18(22-12-3-2-4-13-22)21-20-15-10-8-14(19)9-11-15/h8-11,20H,2-7,12-13H2,1H3/b21-18+.
What are the key properties of methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate?
methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate has a molecular weight of 349.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6E)-6-[(4-fluorophenyl)hydrazinylidene]-5-oxo-6-piperidin-1-ylhexanoate is sourced from PubChem (CID 10337879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).