1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

C19H26N4O4S — CID 43973630

About 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 43973630) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 43973630
• Molecular Formula: C19H26N4O4S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.17
• IUPAC Name: 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• SMILES: CC(C)c1ccc(Cc2nnc(NC(=O)C3CCCN(S(C)(=O)=O)C3)o2)cc1
• InChI: InChI=1S/C19H26N4O4S/c1-13(2)15-8-6-14(7-9-15)11-17-21-22-19(27-17)20-18(24)16-5-4-10-23(12-16)28(3,25)26/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,20,22,24)
• InChIKey: DOWXFPPJYKUUJR-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The IUPAC name of 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 43973630) is 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is CC(C)c1ccc(Cc2nnc(NC(=O)C3CCCN(S(C)(=O)=O)C3)o2)cc1.

What is the InChIKey of 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The InChIKey is DOWXFPPJYKUUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-13(2)15-8-6-14(7-9-15)11-17-21-22-19(27-17)20-18(24)16-5-4-10-23(12-16)28(3,25)26/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,20,22,24).

What are the key properties of 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 43973630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).