cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C18H21N3O3 — CID 812728

About cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 812728) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• PubChem CID: 812728
• Molecular Formula: C18H21N3O3
• Molecular Weight: 327.38 g/mol
• Exact Mass: 327.16
• IUPAC Name: cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• SMILES: COc1cccc(-c2noc(C3CCN(C(=O)C4CC4)CC3)n2)c1
• InChI: InChI=1S/C18H21N3O3/c1-23-15-4-2-3-14(11-15)16-19-17(24-20-16)12-7-9-21(10-8-12)18(22)13-5-6-13/h2-4,11-13H,5-10H2,1H3
• InChIKey: BTYAZWDBESZQKL-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.38
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The IUPAC name of cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 812728) is cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COc1cccc(-c2noc(C3CCN(C(=O)C4CC4)CC3)n2)c1.

What is the InChIKey of cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

The InChIKey is BTYAZWDBESZQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-4-2-3-14(11-15)16-19-17(24-20-16)12-7-9-21(10-8-12)18(22)13-5-6-13/h2-4,11-13H,5-10H2,1H3.

What are the key properties of cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?

cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 812728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).