1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C19H22F2N4O3S — CID 42958498

About 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 42958498) has the molecular formula C19H22F2N4O3S and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 42958498
• Molecular Formula: C19H22F2N4O3S
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.14
• IUPAC Name: 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
• SMILES: CC(C)c1nnc(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)s1
• InChI: InChI=1S/C19H22F2N4O3S/c1-11(2)16-23-24-19(29-16)22-15(26)12-6-5-9-25(10-12)17(27)13-7-3-4-8-14(13)28-18(20)21/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3,(H,22,24,26)
• InChIKey: QQIMPMCIDROTHR-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 42958498) is 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CC(C)c1nnc(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)s1.

What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is QQIMPMCIDROTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3S/c1-11(2)16-23-24-19(29-16)22-15(26)12-6-5-9-25(10-12)17(27)13-7-3-4-8-14(13)28-18(20)21/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3,(H,22,24,26).

What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.75, 6 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-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 42958498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).