5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one

C15H19N3O — CID 175903872

IUPAC5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one
SMILESCC1CC(c2cccc3[nH]c(=O)cnc23)CC(C)N1
InChIInChI=1S/C15H19N3O/c1-9-6-11(7-10(2)17-9)12-4-3-5-13-15(12)16-8-14(19)18-13/h3-5,8-11,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyHDOQNNQVMLWFDW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds1

About 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one

5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one (PubChem CID 175903872) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one
PubChem CID175903872
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one
SMILESCC1CC(c2cccc3[nH]c(=O)cnc23)CC(C)N1
InChIInChI=1S/C15H19N3O/c1-9-6-11(7-10(2)17-9)12-4-3-5-13-15(12)16-8-14(19)18-13/h3-5,8-11,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyHDOQNNQVMLWFDW-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one?
The IUPAC name of 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one (CID 175903872) is 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one is CC1CC(c2cccc3[nH]c(=O)cnc23)CC(C)N1.
What is the InChIKey of 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one?
The InChIKey is HDOQNNQVMLWFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-6-11(7-10(2)17-9)12-4-3-5-13-15(12)16-8-14(19)18-13/h3-5,8-11,17H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one?
5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 175903872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).