5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C21H32N4OS — CID 86874372

About 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 86874372) has the molecular formula C21H32N4OS and a molecular weight of 388.58 g/mol. Its IUPAC name is 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
• PubChem CID: 86874372
• Molecular Formula: C21H32N4OS
• Molecular Weight: 388.58 g/mol
• Exact Mass: 388.23
• IUPAC Name: 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
• SMILES: CC1CCN(CC2CCCN(CCCc3nc(-c4cccs4)no3)C2)CC1
• InChI: InChI=1S/C21H32N4OS/c1-17-8-12-25(13-9-17)16-18-5-2-10-24(15-18)11-3-7-20-22-21(23-26-20)19-6-4-14-27-19/h4,6,14,17-18H,2-3,5,7-13,15-16H2,1H3
• InChIKey: CPQVSHIKVDEUMY-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 45.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.58
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 86874372) is 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CC1CCN(CC2CCCN(CCCc3nc(-c4cccs4)no3)C2)CC1.

What is the InChIKey of 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?

The InChIKey is CPQVSHIKVDEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4OS/c1-17-8-12-25(13-9-17)16-18-5-2-10-24(15-18)11-3-7-20-22-21(23-26-20)19-6-4-14-27-19/h4,6,14,17-18H,2-3,5,7-13,15-16H2,1H3.

What are the key properties of 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?

5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 388.58 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86874372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).