2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone

C17H24N2O4 — CID 7703931

IUPAC2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1cccc(/C=N\OCC(=O)N2CCC(C)CC2)c1OC
InChIInChI=1S/C17H24N2O4/c1-13-7-9-19(10-8-13)16(20)12-23-18-11-14-5-4-6-15(21-2)17(14)22-3/h4-6,11,13H,7-10,12H2,1-3H3/b18-11-
InChIKeyLVEJADFSJHWVFG-WQRHYEAKSA-N
MW320.39 g/mol
LogP2.31
Rot. Bonds6

About 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone

2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 7703931) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID7703931
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1cccc(/C=N\OCC(=O)N2CCC(C)CC2)c1OC
InChIInChI=1S/C17H24N2O4/c1-13-7-9-19(10-8-13)16(20)12-23-18-11-14-5-4-6-15(21-2)17(14)22-3/h4-6,11,13H,7-10,12H2,1-3H3/b18-11-
InChIKeyLVEJADFSJHWVFG-WQRHYEAKSA-N
XLogP2.31
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.31
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)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7703815
1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981057
N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7704038
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045
2-[(2,3-dimethoxyphenyl)methylidene]-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1-benzofuran-3-one
CID 4870091
2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39404473
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 3472296
1-(azepan-1-yl)-2-[(2-propan-2-yloxyphenyl)methylideneamino]oxyethanone
CID 78767129
(2-morpholin-4-yl-2-oxoethyl) (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2587163
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(4-ethylphenyl)acetamide
CID 7703851
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9334137
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354662

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone (CID 7703931) is 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone is COc1cccc(/C=N\OCC(=O)N2CCC(C)CC2)c1OC.
What is the InChIKey of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is LVEJADFSJHWVFG-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13-7-9-19(10-8-13)16(20)12-23-18-11-14-5-4-6-15(21-2)17(14)22-3/h4-6,11,13H,7-10,12H2,1-3H3/b18-11-.
What are the key properties of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone?
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 320.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 7703931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).