1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide

C24H27BrN4O3 — CID 43932760

About 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 43932760) has the molecular formula C24H27BrN4O3 and a molecular weight of 499.41 g/mol. Its IUPAC name is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
• PubChem CID: 43932760
• Molecular Formula: C24H27BrN4O3
• Molecular Weight: 499.41 g/mol
• Exact Mass: 498.13
• IUPAC Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
• SMILES: CC(C)Oc1ccccc1NC(=O)C1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1
• InChI: InChI=1S/C24H27BrN4O3/c1-16(2)31-21-11-4-3-10-20(21)26-24(30)18-8-6-12-29(14-18)15-22-27-23(28-32-22)17-7-5-9-19(25)13-17/h3-5,7,9-11,13,16,18H,6,8,12,14-15H2,1-2H3,(H,26,30)
• InChIKey: NWDLCGXUZUHANN-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.41
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?

The IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 43932760) is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)C1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1.

What is the InChIKey of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?

The InChIKey is NWDLCGXUZUHANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3/c1-16(2)31-21-11-4-3-10-20(21)26-24(30)18-8-6-12-29(14-18)15-22-27-23(28-32-22)17-7-5-9-19(25)13-17/h3-5,7,9-11,13,16,18H,6,8,12,14-15H2,1-2H3,(H,26,30).

What are the key properties of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 499.41 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43932760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).