ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate

C20H23N3O6 — CID 9412266

IUPACethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1
InChIInChI=1S/C20H23N3O6/c1-3-27-20(26)23-8-6-14(7-9-23)21-22-18(24)12-28-15-4-5-16-13(2)10-19(25)29-17(16)11-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,24)
InChIKeyOJNGEFGGHIOGKA-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.20
Rot. Bonds5

About ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate

ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate (PubChem CID 9412266) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate
PubChem CID9412266
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC Nameethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1
InChIInChI=1S/C20H23N3O6/c1-3-27-20(26)23-8-6-14(7-9-23)21-22-18(24)12-28-15-4-5-16-13(2)10-19(25)29-17(16)11-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,24)
InChIKeyOJNGEFGGHIOGKA-UHFFFAOYSA-N
XLogP2.20
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide
CID 9412292
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412326
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
benzyl 4-[(2S)-3-hydroxy-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoyl]-1,4-diazepane-1-carboxylate
CID 6723225
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412162
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412335
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate (CID 9412266) is ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate?
The InChIKey is OJNGEFGGHIOGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-3-27-20(26)23-8-6-14(7-9-23)21-22-18(24)12-28-15-4-5-16-13(2)10-19(25)29-17(16)11-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,24).
What are the key properties of ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate?
ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate is sourced from PubChem (CID 9412266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).