2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone

C18H26N2O4 — CID 43013378

IUPAC2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(OC)c(/C=N/OCC(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C18H26N2O4/c1-13-6-5-7-14(2)20(13)18(21)12-24-19-11-15-10-16(22-3)8-9-17(15)23-4/h8-11,13-14H,5-7,12H2,1-4H3/b19-11+
InChIKeyPHATVIUJQGZESM-YBFXNURJSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds6

About 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 43013378) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID43013378
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(OC)c(/C=N/OCC(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C18H26N2O4/c1-13-6-5-7-14(2)20(13)18(21)12-24-19-11-15-10-16(22-3)8-9-17(15)23-4/h8-11,13-14H,5-7,12H2,1-4H3/b19-11+
InChIKeyPHATVIUJQGZESM-YBFXNURJSA-N
XLogP2.84
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9355386
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone
CID 9355348
2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 110767883
1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981058
N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355431
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2531086
N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355379
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
1-[3-[[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 9355424
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 46615768

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 43013378) is 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone is COc1ccc(OC)c(/C=N/OCC(=O)N2C(C)CCCC2C)c1.
What is the InChIKey of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is PHATVIUJQGZESM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-6-5-7-14(2)20(13)18(21)12-24-19-11-15-10-16(22-3)8-9-17(15)23-4/h8-11,13-14H,5-7,12H2,1-4H3/b19-11+.
What are the key properties of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 334.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43013378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).