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

C21H21FN4O3 — CID 3226032

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

N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 3226032) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• PubChem CID: 3226032
• Molecular Formula: C21H21FN4O3
• Molecular Weight: 396.42 g/mol
• Exact Mass: 396.16
• IUPAC Name: N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• SMILES: COc1cccc(-c2noc(C3CCCN(C(=O)Nc4cccc(F)c4)C3)n2)c1
• InChI: InChI=1S/C21H21FN4O3/c1-28-18-9-2-5-14(11-18)19-24-20(29-25-19)15-6-4-10-26(13-15)21(27)23-17-8-3-7-16(22)12-17/h2-3,5,7-9,11-12,15H,4,6,10,13H2,1H3,(H,23,27)
• InChIKey: RPIGOFMJDRYPTN-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.42
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 3226032) is N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

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

The canonical SMILES for N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2noc(C3CCCN(C(=O)Nc4cccc(F)c4)C3)n2)c1.

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

The InChIKey is RPIGOFMJDRYPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-18-9-2-5-14(11-18)19-24-20(29-25-19)15-6-4-10-26(13-15)21(27)23-17-8-3-7-16(22)12-17/h2-3,5,7-9,11-12,15H,4,6,10,13H2,1H3,(H,23,27).

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

N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 3226032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).