1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one

C17H23N3O3 — CID 136564299

IUPAC1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one
SMILESCN1CCC(OCC(=O)N2CC(=O)N(C)c3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-18-9-7-13(8-10-18)23-12-17(22)20-11-16(21)19(2)14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3
InChIKeyYVIHEPUEFSOUPG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.11
Rot. Bonds3

About 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one

1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one (PubChem CID 136564299) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one
PubChem CID136564299
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one
SMILESCN1CCC(OCC(=O)N2CC(=O)N(C)c3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-18-9-7-13(8-10-18)23-12-17(22)20-11-16(21)19(2)14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3
InChIKeyYVIHEPUEFSOUPG-UHFFFAOYSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one?
The IUPAC name of 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one (CID 136564299) is 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one.
What is the SMILES notation for 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one?
The canonical SMILES for 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one is CN1CCC(OCC(=O)N2CC(=O)N(C)c3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one?
The InChIKey is YVIHEPUEFSOUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-9-7-13(8-10-18)23-12-17(22)20-11-16(21)19(2)14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one?
1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one is sourced from PubChem (CID 136564299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).