(3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C21H20ClN3O2 — CID 3912451

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

(3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 3912451) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• PubChem CID: 3912451
• Molecular Formula: C21H20ClN3O2
• Molecular Weight: 381.86 g/mol
• Exact Mass: 381.12
• IUPAC Name: (3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• SMILES: Cc1cccc(-c2noc(C3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)c1
• InChI: InChI=1S/C21H20ClN3O2/c1-14-5-2-6-15(11-14)19-23-20(27-24-19)17-8-4-10-25(13-17)21(26)16-7-3-9-18(22)12-16/h2-3,5-7,9,11-12,17H,4,8,10,13H2,1H3
• InChIKey: RIUFHEPOCHPMJK-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.86
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 3912451) is (3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1cccc(-c2noc(C3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)c1.

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

The InChIKey is RIUFHEPOCHPMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-5-2-6-15(11-14)19-23-20(27-24-19)17-8-4-10-25(13-17)21(26)16-7-3-9-18(22)12-16/h2-3,5-7,9,11-12,17H,4,8,10,13H2,1H3.

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

(3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 381.86 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3912451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).