3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one

C17H21N3O2 — CID 6461182

IUPAC3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-22-17-15(18-13-7-3-4-8-14(13)19-17)9-10-16(21)20-11-5-2-6-12-20/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyAPIJGGWPNIOIKP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds4

About 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one

3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 6461182) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID6461182
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-22-17-15(18-13-7-3-4-8-14(13)19-17)9-10-16(21)20-11-5-2-6-12-20/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyAPIJGGWPNIOIKP-UHFFFAOYSA-N
XLogP2.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one (CID 6461182) is 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one is COc1nc2ccccc2nc1CCC(=O)N1CCCCC1.
What is the InChIKey of 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is APIJGGWPNIOIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-17-15(18-13-7-3-4-8-14(13)19-17)9-10-16(21)20-11-5-2-6-12-20/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one?
3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 6461182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).