1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C23H23F2N3O4S — CID 46416304

About 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 46416304) has the molecular formula C23H23F2N3O4S and a molecular weight of 475.52 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 46416304
• Molecular Formula: C23H23F2N3O4S
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.14
• IUPAC Name: 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
• SMILES: CCOc1ccc2nc(NC(=O)C3CCCN(C(=O)c4ccccc4OC(F)F)C3)sc2c1
• InChI: InChI=1S/C23H23F2N3O4S/c1-2-31-15-9-10-17-19(12-15)33-23(26-17)27-20(29)14-6-5-11-28(13-14)21(30)16-7-3-4-8-18(16)32-22(24)25/h3-4,7-10,12,14,22H,2,5-6,11,13H2,1H3,(H,26,27,29)
• InChIKey: CZIMLUHTGWUDDH-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 46416304) is 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CCOc1ccc2nc(NC(=O)C3CCCN(C(=O)c4ccccc4OC(F)F)C3)sc2c1.

What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is CZIMLUHTGWUDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O4S/c1-2-31-15-9-10-17-19(12-15)33-23(26-17)27-20(29)14-6-5-11-28(13-14)21(30)16-7-3-4-8-18(16)32-22(24)25/h3-4,7-10,12,14,22H,2,5-6,11,13H2,1H3,(H,26,27,29).

What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46416304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).