(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone

C22H23N3O4 — CID 90559871

IUPAC(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C22H23N3O4/c1-27-17-11-15(12-18(13-17)28-2)22(26)25-9-7-16(8-10-25)29-21-14-23-19-5-3-4-6-20(19)24-21/h3-6,11-14,16H,7-10H2,1-2H3
InChIKeyZWERYEBOHKVGIM-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.33
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone

(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90559871) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
PubChem CID90559871
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C22H23N3O4/c1-27-17-11-15(12-18(13-17)28-2)22(26)25-9-7-16(8-10-25)29-21-14-23-19-5-3-4-6-20(19)24-21/h3-6,11-14,16H,7-10H2,1-2H3
InChIKeyZWERYEBOHKVGIM-UHFFFAOYSA-N
XLogP3.33
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559987
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
(3,5-dimethoxyphenyl)-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417295
(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone (CID 90559871) is (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone is COc1cc(OC)cc(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is ZWERYEBOHKVGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-17-11-15(12-18(13-17)28-2)22(26)25-9-7-16(8-10-25)29-21-14-23-19-5-3-4-6-20(19)24-21/h3-6,11-14,16H,7-10H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 393.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90559871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).