1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

C21H25F2N3O3S — CID 56557781

About 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 56557781) has the molecular formula C21H25F2N3O3S and a molecular weight of 437.51 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 56557781
• Molecular Formula: C21H25F2N3O3S
• Molecular Weight: 437.51 g/mol
• Exact Mass: 437.16
• IUPAC Name: 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)c1nc(CNC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)cs1
• InChI: InChI=1S/C21H25F2N3O3S/c1-13(2)19-25-15(12-30-19)10-24-18(27)14-6-5-9-26(11-14)20(28)16-7-3-4-8-17(16)29-21(22)23/h3-4,7-8,12-14,21H,5-6,9-11H2,1-2H3,(H,24,27)
• InChIKey: RVJXKTHARVHPAI-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.51
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (CID 56557781) is 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is CC(C)c1nc(CNC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)cs1.

What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?

The InChIKey is RVJXKTHARVHPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3S/c1-13(2)19-25-15(12-30-19)10-24-18(27)14-6-5-9-26(11-14)20(28)16-7-3-4-8-17(16)29-21(22)23/h3-4,7-8,12-14,21H,5-6,9-11H2,1-2H3,(H,24,27).

What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?

1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56557781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).