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

C27H25ClN4O3 — CID 43933246

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

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide (PubChem CID 43933246) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
• PubChem CID: 43933246
• Molecular Formula: C27H25ClN4O3
• Molecular Weight: 488.98 g/mol
• Exact Mass: 488.16
• IUPAC Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1
• InChI: InChI=1S/C27H25ClN4O3/c28-21-10-8-19(9-11-21)26-30-25(35-31-26)18-32-16-4-5-20(17-32)27(33)29-22-12-14-24(15-13-22)34-23-6-2-1-3-7-23/h1-3,6-15,20H,4-5,16-18H2,(H,29,33)
• InChIKey: PRSCHQWLGITNLB-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.98
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide (CID 43933246) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1.

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

The InChIKey is PRSCHQWLGITNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c28-21-10-8-19(9-11-21)26-30-25(35-31-26)18-32-16-4-5-20(17-32)27(33)29-22-12-14-24(15-13-22)34-23-6-2-1-3-7-23/h1-3,6-15,20H,4-5,16-18H2,(H,29,33).

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

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide has a molecular weight of 488.98 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43933246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).