(2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one

C20H27N3O2 — CID 171359493

IUPAC(2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one
SMILESCCOC1(C)CCN(C(=O)[C@@H](C)Cc2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H27N3O2/c1-4-25-20(3)9-11-23(12-10-20)19(24)15(2)13-16-14-21-17-7-5-6-8-18(17)22-16/h5-8,14-15H,4,9-13H2,1-3H3/t15-/m0/s1
InChIKeyXINFGQVNQKZDBS-HNNXBMFYSA-N
MW341.45 g/mol
LogP3.23
Rot. Bonds5

About (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one

(2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one (PubChem CID 171359493) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one
PubChem CID171359493
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one
SMILESCCOC1(C)CCN(C(=O)[C@@H](C)Cc2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H27N3O2/c1-4-25-20(3)9-11-23(12-10-20)19(24)15(2)13-16-14-21-17-7-5-6-8-18(17)22-16/h5-8,14-15H,4,9-13H2,1-3H3/t15-/m0/s1
InChIKeyXINFGQVNQKZDBS-HNNXBMFYSA-N
XLogP3.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-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 (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The IUPAC name of (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one (CID 171359493) is (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one.
What is the SMILES notation for (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The canonical SMILES for (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one is CCOC1(C)CCN(C(=O)[C@@H](C)Cc2cnc3ccccc3n2)CC1.
What is the InChIKey of (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The InChIKey is XINFGQVNQKZDBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-25-20(3)9-11-23(12-10-20)19(24)15(2)13-16-14-21-17-7-5-6-8-18(17)22-16/h5-8,14-15H,4,9-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one?
(2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one has a molecular weight of 341.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-ethoxy-4-methylpiperidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one is sourced from PubChem (CID 171359493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).