ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate

C17H22N4O3 — CID 75499064

About ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate

ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 75499064) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate
• PubChem CID: 75499064
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1cccc(N2CCCC(Cc3noc(C)n3)C2)n1
• InChI: InChI=1S/C17H22N4O3/c1-3-23-17(22)14-7-4-8-16(19-14)21-9-5-6-13(11-21)10-15-18-12(2)24-20-15/h4,7-8,13H,3,5-6,9-11H2,1-2H3
• InChIKey: SAZNNTHNHQRKFH-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 81.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate?

The IUPAC name of ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate (CID 75499064) is ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate.

What is the SMILES notation for ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate?

The canonical SMILES for ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(N2CCCC(Cc3noc(C)n3)C2)n1.

What is the InChIKey of ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate?

The InChIKey is SAZNNTHNHQRKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-23-17(22)14-7-4-8-16(19-14)21-9-5-6-13(11-21)10-15-18-12(2)24-20-15/h4,7-8,13H,3,5-6,9-11H2,1-2H3.

What are the key properties of ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate?

ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 75499064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).