1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

C26H32N4O2S — CID 3543809

About 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 3543809) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
• PubChem CID: 3543809
• Molecular Formula: C26H32N4O2S
• Molecular Weight: 464.64 g/mol
• Exact Mass: 464.22
• IUPAC Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
• SMILES: COc1cccc(Cc2nsc(N3CCCC(C(=O)NC(C)CCc4ccccc4)C3)n2)c1
• InChI: InChI=1S/C26H32N4O2S/c1-19(13-14-20-8-4-3-5-9-20)27-25(31)22-11-7-15-30(18-22)26-28-24(29-33-26)17-21-10-6-12-23(16-21)32-2/h3-6,8-10,12,16,19,22H,7,11,13-15,17-18H2,1-2H3,(H,27,31)
• InChIKey: GCQPAYLTSAJXEQ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.64
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide (CID 3543809) is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide is COc1cccc(Cc2nsc(N3CCCC(C(=O)NC(C)CCc4ccccc4)C3)n2)c1.

What is the InChIKey of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?

The InChIKey is GCQPAYLTSAJXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-19(13-14-20-8-4-3-5-9-20)27-25(31)22-11-7-15-30(18-22)26-28-24(29-33-26)17-21-10-6-12-23(16-21)32-2/h3-6,8-10,12,16,19,22H,7,11,13-15,17-18H2,1-2H3,(H,27,31).

What are the key properties of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 464.64 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3543809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).