quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C21H19N5O2S — CID 90642632

About quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90642632) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 90642632
• Molecular Formula: C21H19N5O2S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.13
• IUPAC Name: quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: O=C(c1cnc2ccccc2n1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
• InChI: InChI=1S/C21H19N5O2S/c27-21(18-11-22-16-5-1-2-6-17(16)23-18)26-8-3-4-14(12-26)10-19-24-20(25-28-19)15-7-9-29-13-15/h1-2,5-7,9,11,13-14H,3-4,8,10,12H2
• InChIKey: YAXFOLZYRPGDQF-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 85.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 90642632) is quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cnc2ccccc2n1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.

What is the InChIKey of quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is YAXFOLZYRPGDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c27-21(18-11-22-16-5-1-2-6-17(16)23-18)26-8-3-4-14(12-26)10-19-24-20(25-28-19)15-7-9-29-13-15/h1-2,5-7,9,11,13-14H,3-4,8,10,12H2.

What are the key properties of quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90642632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).