6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one

C22H23N3O3 — CID 69083291

IUPAC6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2nccnc2c1
InChIInChI=1S/C22H23N3O3/c1-27-19-6-4-7-20(28-2)22(19)18-5-3-8-21(26)25(18)14-15-9-10-16-17(13-15)24-12-11-23-16/h4,6-7,9-13,18H,3,5,8,14H2,1-2H3
InChIKeyODUZWHFFTFQNCT-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.90
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one (PubChem CID 69083291) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one
PubChem CID69083291
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2nccnc2c1
InChIInChI=1S/C22H23N3O3/c1-27-19-6-4-7-20(28-2)22(19)18-5-3-8-21(26)25(18)14-15-9-10-16-17(13-15)24-12-11-23-16/h4,6-7,9-13,18H,3,5,8,14H2,1-2H3
InChIKeyODUZWHFFTFQNCT-UHFFFAOYSA-N
XLogP3.90
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one (CID 69083291) is 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2nccnc2c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one?
The InChIKey is ODUZWHFFTFQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-19-6-4-7-20(28-2)22(19)18-5-3-8-21(26)25(18)14-15-9-10-16-17(13-15)24-12-11-23-16/h4,6-7,9-13,18H,3,5,8,14H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one is sourced from PubChem (CID 69083291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).