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

C23H23FN4O4S — CID 94088320

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

5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 94088320) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is 5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 94088320
• Molecular Formula: C23H23FN4O4S
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.14
• IUPAC Name: 5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
• SMILES: COc1cc(OC)cc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1
• InChI: InChI=1S/C23H23FN4O4S/c1-31-18-10-15(11-19(12-18)32-2)23(30)28-9-3-4-14(13-28)21-26-27-22(33-21)20(29)25-17-7-5-16(24)6-8-17/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,25,29)/t14-/m1/s1
• InChIKey: ZWEXPYFAXGWCQX-CQSZACIVSA-N
• XLogP: 3.97
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 94088320) is 5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide.

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

The canonical SMILES for 5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide is COc1cc(OC)cc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1.

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

The InChIKey is ZWEXPYFAXGWCQX-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-31-18-10-15(11-19(12-18)32-2)23(30)28-9-3-4-14(13-28)21-26-27-22(33-21)20(29)25-17-7-5-16(24)6-8-17/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,25,29)/t14-/m1/s1.

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

5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 94088320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).