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

C24H27ClN4O3 — CID 38155757

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

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 38155757) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
• PubChem CID: 38155757
• Molecular Formula: C24H27ClN4O3
• Molecular Weight: 454.96 g/mol
• Exact Mass: 454.18
• IUPAC Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
• SMILES: CC(C)Oc1ccc(NC(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1
• InChI: InChI=1S/C24H27ClN4O3/c1-16(2)31-21-8-6-20(7-9-21)26-24(30)17-10-12-29(13-11-17)15-22-27-23(28-32-22)18-4-3-5-19(25)14-18/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,26,30)
• InChIKey: VIJKSKGUBYSXAB-UHFFFAOYSA-N
• XLogP: 5.03
• 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	454.96
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 38155757) is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide is CC(C)Oc1ccc(NC(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1.

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

The InChIKey is VIJKSKGUBYSXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-16(2)31-21-8-6-20(7-9-21)26-24(30)17-10-12-29(13-11-17)15-22-27-23(28-32-22)18-4-3-5-19(25)14-18/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,26,30).

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

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38155757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).