1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

C17H26N4O3 — CID 72929438

About 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 72929438) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
• PubChem CID: 72929438
• Molecular Formula: C17H26N4O3
• Molecular Weight: 334.42 g/mol
• Exact Mass: 334.20
• IUPAC Name: 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC(C(=O)N2CCC(Cc3nc(C)no3)CC2)C1
• InChI: InChI=1S/C17H26N4O3/c1-12-18-16(24-19-12)10-14-5-8-20(9-6-14)17(23)15-4-3-7-21(11-15)13(2)22/h14-15H,3-11H2,1-2H3
• InChIKey: IBWKFHFVCDCJSH-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.42
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 72929438) is 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(=O)N2CCC(Cc3nc(C)no3)CC2)C1.

What is the InChIKey of 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?

The InChIKey is IBWKFHFVCDCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-18-16(24-19-12)10-14-5-8-20(9-6-14)17(23)15-4-3-7-21(11-15)13(2)22/h14-15H,3-11H2,1-2H3.

What are the key properties of 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?

1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72929438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).