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

C19H26N4O2S — CID 43935180

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

(3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone (PubChem CID 43935180) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
• PubChem CID: 43935180
• Molecular Formula: C19H26N4O2S
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.18
• IUPAC Name: (3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
• SMILES: CC1CCCN(C(=O)C2CCCN(Cc3nc(-c4cccs4)no3)C2)C1
• InChI: InChI=1S/C19H26N4O2S/c1-14-5-2-9-23(11-14)19(24)15-6-3-8-22(12-15)13-17-20-18(21-25-17)16-7-4-10-26-16/h4,7,10,14-15H,2-3,5-6,8-9,11-13H2,1H3
• InChIKey: JKORDPYVZDHAMI-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 62.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone (CID 43935180) is (3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone.

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

The canonical SMILES for (3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone is CC1CCCN(C(=O)C2CCCN(Cc3nc(-c4cccs4)no3)C2)C1.

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

The InChIKey is JKORDPYVZDHAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-5-2-9-23(11-14)19(24)15-6-3-8-22(12-15)13-17-20-18(21-25-17)16-7-4-10-26-16/h4,7,10,14-15H,2-3,5-6,8-9,11-13H2,1H3.

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

(3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 374.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 43935180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).