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

C24H28N4O2S — CID 4654633

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

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 4654633) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
• PubChem CID: 4654633
• Molecular Formula: C24H28N4O2S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.19
• IUPAC Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
• SMILES: COc1cccc(Cc2nsc(N3CCCC(C(=O)NC(C)c4ccccc4)C3)n2)c1
• InChI: InChI=1S/C24H28N4O2S/c1-17(19-9-4-3-5-10-19)25-23(29)20-11-7-13-28(16-20)24-26-22(27-31-24)15-18-8-6-12-21(14-18)30-2/h3-6,8-10,12,14,17,20H,7,11,13,15-16H2,1-2H3,(H,25,29)
• InChIKey: POPCJKUKORWLRE-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	4.23
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-(1-phenylethyl)piperidine-3-carboxamide?

The IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide (CID 4654633) is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide is COc1cccc(Cc2nsc(N3CCCC(C(=O)NC(C)c4ccccc4)C3)n2)c1.

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

The InChIKey is POPCJKUKORWLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-17(19-9-4-3-5-10-19)25-23(29)20-11-7-13-28(16-20)24-26-22(27-31-24)15-18-8-6-12-21(14-18)30-2/h3-6,8-10,12,14,17,20H,7,11,13,15-16H2,1-2H3,(H,25,29).

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

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.23, 7 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-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 4654633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).