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

C22H26N4O2S — CID 132663656

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

N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 132663656) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
• PubChem CID: 132663656
• Molecular Formula: C22H26N4O2S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.18
• IUPAC Name: N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
• SMILES: CC1CCCN(Cc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)C1
• InChI: InChI=1S/C22H26N4O2S/c1-16-5-3-11-26(13-16)14-17-7-9-18(10-8-17)22(27)25(2)15-20-23-21(24-28-20)19-6-4-12-29-19/h4,6-10,12,16H,3,5,11,13-15H2,1-2H3
• InChIKey: OQBGUECYAOREBG-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 62.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 132663656) is N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

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

The canonical SMILES for N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is CC1CCCN(Cc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)C1.

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

The InChIKey is OQBGUECYAOREBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-5-3-11-26(13-16)14-17-7-9-18(10-8-17)22(27)25(2)15-20-23-21(24-28-20)19-6-4-12-29-19/h4,6-10,12,16H,3,5,11,13-15H2,1-2H3.

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

N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 132663656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).