3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

C18H22N8O2 — CID 136523571

About 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 136523571) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
• PubChem CID: 136523571
• Molecular Formula: C18H22N8O2
• Molecular Weight: 382.43 g/mol
• Exact Mass: 382.19
• IUPAC Name: 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
• SMILES: Cc1nc(CC2CCCN(C(=O)Nc3cccc(-n4nnnc4C)c3)C2)no1
• InChI: InChI=1S/C18H22N8O2/c1-12-21-23-24-26(12)16-7-3-6-15(10-16)20-18(27)25-8-4-5-14(11-25)9-17-19-13(2)28-22-17/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3,(H,20,27)
• InChIKey: LKJKLCZJPHBWAT-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 114.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.43
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (CID 136523571) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.

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

The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is Cc1nc(CC2CCCN(C(=O)Nc3cccc(-n4nnnc4C)c3)C2)no1.

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

The InChIKey is LKJKLCZJPHBWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-12-21-23-24-26(12)16-7-3-6-15(10-16)20-18(27)25-8-4-5-14(11-25)9-17-19-13(2)28-22-17/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3,(H,20,27).

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

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 136523571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).