5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C22H22N4O3S — CID 94088680

About 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 94088680) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 94088680
• Molecular Formula: C22H22N4O3S
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.14
• IUPAC Name: 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• SMILES: COc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1
• InChI: InChI=1S/C22H22N4O3S/c1-29-18-11-5-7-15(13-18)22(28)26-12-6-8-16(14-26)20-24-25-21(30-20)19(27)23-17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,23,27)/t16-/m1/s1
• InChIKey: ZRWASMVPELJASI-MRXNPFEDSA-N
• XLogP: 3.82
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 94088680) is 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is COc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1.

What is the InChIKey of 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is ZRWASMVPELJASI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-29-18-11-5-7-15(13-18)22(28)26-12-6-8-16(14-26)20-24-25-21(30-20)19(27)23-17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,23,27)/t16-/m1/s1.

What are the key properties of 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 94088680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).