1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone

C16H21FN2O2 — CID 86932515

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone
SMILESCC1CC(C)CN(C(=O)CO/N=C/c2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O2/c1-12-6-13(2)10-19(9-12)16(20)11-21-18-8-14-4-3-5-15(17)7-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3/b18-8+
InChIKeyDNNGOXXHDPHIDA-QGMBQPNBSA-N
MW292.35 g/mol
LogP2.68
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone (PubChem CID 86932515) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone
PubChem CID86932515
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone
SMILESCC1CC(C)CN(C(=O)CO/N=C/c2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O2/c1-12-6-13(2)10-19(9-12)16(20)11-21-18-8-14-4-3-5-15(17)7-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3/b18-8+
InChIKeyDNNGOXXHDPHIDA-QGMBQPNBSA-N
XLogP2.68
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3456323
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704639
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314295
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 129431700
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786341
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 7704846
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7704490
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 7704833

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone (CID 86932515) is 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone is CC1CC(C)CN(C(=O)CO/N=C/c2cccc(F)c2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone?
The InChIKey is DNNGOXXHDPHIDA-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12-6-13(2)10-19(9-12)16(20)11-21-18-8-14-4-3-5-15(17)7-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3/b18-8+.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone has a molecular weight of 292.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone is sourced from PubChem (CID 86932515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).