2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone

C21H20FN3O3 — CID 90559928

IUPAC2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H20FN3O3/c22-15-5-7-16(8-6-15)27-14-21(26)25-11-9-17(10-12-25)28-20-13-23-18-3-1-2-4-19(18)24-20/h1-8,13,17H,9-12,14H2
InChIKeyMLGMXKCDPCITPP-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone

2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 90559928) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
PubChem CID90559928
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H20FN3O3/c22-15-5-7-16(8-6-15)27-14-21(26)25-11-9-17(10-12-25)28-20-13-23-18-3-1-2-4-19(18)24-20/h1-8,13,17H,9-12,14H2
InChIKeyMLGMXKCDPCITPP-UHFFFAOYSA-N
XLogP3.22
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone
CID 126850631
(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841
2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90560034
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 112836578
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 126852274

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone (CID 90559928) is 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone is O=C(COc1ccc(F)cc1)N1CCC(Oc2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is MLGMXKCDPCITPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-15-5-7-16(8-6-15)27-14-21(26)25-11-9-17(10-12-25)28-20-13-23-18-3-1-2-4-19(18)24-20/h1-8,13,17H,9-12,14H2.
What are the key properties of 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone?
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 381.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 90559928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).