azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone

C19H32N4O2 — CID 56825800

About azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone

azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone (PubChem CID 56825800) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
• PubChem CID: 56825800
• Molecular Formula: C19H32N4O2
• Molecular Weight: 348.49 g/mol
• Exact Mass: 348.25
• IUPAC Name: azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
• SMILES: CC(C)(C)c1noc(CN2CCCC(C(=O)N3CCCCCC3)C2)n1
• InChI: InChI=1S/C19H32N4O2/c1-19(2,3)18-20-16(25-21-18)14-22-10-8-9-15(13-22)17(24)23-11-6-4-5-7-12-23/h15H,4-14H2,1-3H3
• InChIKey: ZMROENMNRNLZPE-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.49
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone?

The IUPAC name of azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone (CID 56825800) is azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone.

What is the SMILES notation for azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone?

The canonical SMILES for azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone is CC(C)(C)c1noc(CN2CCCC(C(=O)N3CCCCCC3)C2)n1.

What is the InChIKey of azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone?

The InChIKey is ZMROENMNRNLZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-19(2,3)18-20-16(25-21-18)14-22-10-8-9-15(13-22)17(24)23-11-6-4-5-7-12-23/h15H,4-14H2,1-3H3.

What are the key properties of azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone?

azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 56825800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).