ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate

C17H19N3O4 — CID 90559847

IUPACethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
SMILESCCOC(=O)C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H19N3O4/c1-2-23-17(22)16(21)20-9-7-12(8-10-20)24-15-11-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyDUGYJSXOVUYHJU-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.56
Rot. Bonds3

About ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate

ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate (PubChem CID 90559847) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
PubChem CID90559847
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Nameethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
SMILESCCOC(=O)C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H19N3O4/c1-2-23-17(22)16(21)20-9-7-12(8-10-20)24-15-11-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyDUGYJSXOVUYHJU-UHFFFAOYSA-N
XLogP1.56
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559987
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90560043
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate (CID 90559847) is ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate is CCOC(=O)C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1.
What is the InChIKey of ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate?
The InChIKey is DUGYJSXOVUYHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-23-17(22)16(21)20-9-7-12(8-10-20)24-15-11-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate?
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate has a molecular weight of 329.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate is sourced from PubChem (CID 90559847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).