(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide

C17H22N4O6 — CID 7667491

IUPAC(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)/C=N\OCC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C17H22N4O6/c1-12-5-3-4-8-20(12)17(23)11-27-18-10-16(22)19-14-7-6-13(21(24)25)9-15(14)26-2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,22)/b18-10-/t12-/m0/s1
InChIKeyLWNCDGBZWFKFLA-XACIZNRCSA-N
MW378.39 g/mol
LogP1.95
Rot. Bonds7

About (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide

(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide (PubChem CID 7667491) has the molecular formula C17H22N4O6 and a molecular weight of 378.39 g/mol. Its IUPAC name is (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide.

Molecular Properties

Compound Name(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide
PubChem CID7667491
Molecular FormulaC17H22N4O6
Molecular Weight378.39 g/mol
Exact Mass378.15
IUPAC Name(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)/C=N\OCC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C17H22N4O6/c1-12-5-3-4-8-20(12)17(23)11-27-18-10-16(22)19-14-7-6-13(21(24)25)9-15(14)26-2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,22)/b18-10-/t12-/m0/s1
InChIKeyLWNCDGBZWFKFLA-XACIZNRCSA-N
XLogP1.95
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide
CID 7667489
N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7667368
N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7667509
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7700952
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666200
1-(2-methoxy-4-nitrophenyl)-3-[5-[(2R)-2-methylpiperidin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 92678651
N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide
CID 154338741
N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide
CID 19653667
N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 19583470
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide?
The IUPAC name of (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide (CID 7667491) is (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide.
What is the SMILES notation for (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide?
The canonical SMILES for (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)/C=N\OCC(=O)N1CCCC[C@@H]1C.
What is the InChIKey of (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide?
The InChIKey is LWNCDGBZWFKFLA-XACIZNRCSA-N. The full InChI is InChI=1S/C17H22N4O6/c1-12-5-3-4-8-20(12)17(23)11-27-18-10-16(22)19-14-7-6-13(21(24)25)9-15(14)26-2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,22)/b18-10-/t12-/m0/s1.
What are the key properties of (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide?
(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide has a molecular weight of 378.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide is sourced from PubChem (CID 7667491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).