[3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone

C22H24N4O — CID 24790750

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(NC2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1C
InChIInChI=1S/C22H24N4O/c1-15-5-7-18(12-16(15)2)25-19-4-3-11-26(14-19)22(27)17-6-8-20-21(13-17)24-10-9-23-20/h5-10,12-13,19,25H,3-4,11,14H2,1-2H3
InChIKeyAHYRJDUPCVTUMY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.96
Rot. Bonds3

About [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone

[3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 24790750) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID24790750
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(NC2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1C
InChIInChI=1S/C22H24N4O/c1-15-5-7-18(12-16(15)2)25-19-4-3-11-26(14-19)22(27)17-6-8-20-21(13-17)24-10-9-23-20/h5-10,12-13,19,25H,3-4,11,14H2,1-2H3
InChIKeyAHYRJDUPCVTUMY-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone (CID 24790750) is [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone is Cc1ccc(NC2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1C.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is AHYRJDUPCVTUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-5-7-18(12-16(15)2)25-19-4-3-11-26(14-19)22(27)17-6-8-20-21(13-17)24-10-9-23-20/h5-10,12-13,19,25H,3-4,11,14H2,1-2H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 360.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 24790750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).