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

C21H20F2N4O3 — CID 7347891

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

(3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 7347891) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is (3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• PubChem CID: 7347891
• Molecular Formula: C21H20F2N4O3
• Molecular Weight: 414.41 g/mol
• Exact Mass: 414.15
• IUPAC Name: (3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• SMILES: COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(F)c(F)c4)C3)n2)c1
• InChI: InChI=1S/C21H20F2N4O3/c1-29-16-6-2-4-13(10-16)19-25-20(30-26-19)14-5-3-9-27(12-14)21(28)24-15-7-8-17(22)18(23)11-15/h2,4,6-8,10-11,14H,3,5,9,12H2,1H3,(H,24,28)/t14-/m1/s1
• InChIKey: HDRQJMUGPCMNHY-CQSZACIVSA-N
• XLogP: 4.43
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.41
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 7347891) is (3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

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

The canonical SMILES for (3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(F)c(F)c4)C3)n2)c1.

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

The InChIKey is HDRQJMUGPCMNHY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-29-16-6-2-4-13(10-16)19-25-20(30-26-19)14-5-3-9-27(12-14)21(28)24-15-7-8-17(22)18(23)11-15/h2,4,6-8,10-11,14H,3,5,9,12H2,1H3,(H,24,28)/t14-/m1/s1.

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

(3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 7347891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).