(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone

C20H17F2N3O2 — CID 90559886

IUPAC(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H17F2N3O2/c21-14-4-3-5-15(22)19(14)20(26)25-10-8-13(9-11-25)27-18-12-23-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2
InChIKeyIITGCQIZRQNKEN-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.59
Rot. Bonds3

About (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone

(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90559886) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
PubChem CID90559886
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H17F2N3O2/c21-14-4-3-5-15(22)19(14)20(26)25-10-8-13(9-11-25)27-18-12-23-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2
InChIKeyIITGCQIZRQNKEN-UHFFFAOYSA-N
XLogP3.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 126852274
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559987
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone (CID 90559886) is (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone is O=C(c1c(F)cccc1F)N1CCC(Oc2cnc3ccccc3n2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is IITGCQIZRQNKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-14-4-3-5-15(22)19(14)20(26)25-10-8-13(9-11-25)27-18-12-23-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2.
What are the key properties of (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 369.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90559886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).