2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline

C21H23N3O4S — CID 90560120

IUPAC2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C21H23N3O4S/c1-2-27-16-7-9-18(10-8-16)29(25,26)24-13-11-17(12-14-24)28-21-15-22-19-5-3-4-6-20(19)23-21/h3-10,15,17H,2,11-14H2,1H3
InChIKeyOOOZMDCQHYMAGJ-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.26
Rot. Bonds6

About 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline

2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline (PubChem CID 90560120) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
PubChem CID90560120
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C21H23N3O4S/c1-2-27-16-7-9-18(10-8-16)29(25,26)24-13-11-17(12-14-24)28-21-15-22-19-5-3-4-6-20(19)23-21/h3-10,15,17H,2,11-14H2,1H3
InChIKeyOOOZMDCQHYMAGJ-UHFFFAOYSA-N
XLogP3.26
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560127
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 126850668
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560122
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The IUPAC name of 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline (CID 90560120) is 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline is CCOc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The InChIKey is OOOZMDCQHYMAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-2-27-16-7-9-18(10-8-16)29(25,26)24-13-11-17(12-14-24)28-21-15-22-19-5-3-4-6-20(19)23-21/h3-10,15,17H,2,11-14H2,1H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline?
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline has a molecular weight of 413.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline is sourced from PubChem (CID 90560120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).