N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C21H20Cl2N4O2 — CID 4011005

About N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 4011005) has the molecular formula C21H20Cl2N4O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• PubChem CID: 4011005
• Molecular Formula: C21H20Cl2N4O2
• Molecular Weight: 431.32 g/mol
• Exact Mass: 430.10
• IUPAC Name: N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• SMILES: Cc1cccc(-c2noc(C3CCCN(C(=O)Nc4ccc(Cl)cc4Cl)C3)n2)c1
• InChI: InChI=1S/C21H20Cl2N4O2/c1-13-4-2-5-14(10-13)19-25-20(29-26-19)15-6-3-9-27(12-15)21(28)24-18-8-7-16(22)11-17(18)23/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3,(H,24,28)
• InChIKey: WLSKRZZWNHHMNG-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.32
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 4011005) is N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

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

The canonical SMILES for N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is Cc1cccc(-c2noc(C3CCCN(C(=O)Nc4ccc(Cl)cc4Cl)C3)n2)c1.

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

The InChIKey is WLSKRZZWNHHMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O2/c1-13-4-2-5-14(10-13)19-25-20(29-26-19)15-6-3-9-27(12-15)21(28)24-18-8-7-16(22)11-17(18)23/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3,(H,24,28).

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

N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 4011005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).