1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one

C20H24F3N3O2 — CID 92887446

IUPAC1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
SMILESCC[C@H]1CCCCN1C(=O)Cn1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
InChIInChI=1S/C20H24F3N3O2/c1-4-14-7-5-6-8-25(14)17(27)11-26-16-10-13(3)12(2)9-15(16)24-18(19(26)28)20(21,22)23/h9-10,14H,4-8,11H2,1-3H3/t14-/m0/s1
InChIKeyGJURIOXPFDOONE-AWEZNQCLSA-N
MW395.43 g/mol
LogP3.82
Rot. Bonds3

About 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one

1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one (PubChem CID 92887446) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
PubChem CID92887446
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
SMILESCC[C@H]1CCCCN1C(=O)Cn1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
InChIInChI=1S/C20H24F3N3O2/c1-4-14-7-5-6-8-25(14)17(27)11-26-16-10-13(3)12(2)9-15(16)24-18(19(26)28)20(21,22)23/h9-10,14H,4-8,11H2,1-3H3/t14-/m0/s1
InChIKeyGJURIOXPFDOONE-AWEZNQCLSA-N
XLogP3.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one
CID 50760643
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
CID 113195404
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2088423
1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-methyl-4-nitroimidazol-1-yl)ethanone
CID 95161813
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587473
1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
CID 860340
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242858
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7869154

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?
The IUPAC name of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one (CID 92887446) is 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one is CC[C@H]1CCCCN1C(=O)Cn1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21.
What is the InChIKey of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?
The InChIKey is GJURIOXPFDOONE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-4-14-7-5-6-8-25(14)17(27)11-26-16-10-13(3)12(2)9-15(16)24-18(19(26)28)20(21,22)23/h9-10,14H,4-8,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one has a molecular weight of 395.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 92887446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).