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

C22H26N4O2S — CID 24817026

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

1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24817026) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
• PubChem CID: 24817026
• Molecular Formula: C22H26N4O2S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.18
• IUPAC Name: 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
• SMILES: CCc1ccc(CN2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)o1
• InChI: InChI=1S/C22H26N4O2S/c1-3-19-7-8-20(28-19)14-26-11-9-16(10-12-26)21(27)23-18-6-4-5-17(13-18)22-25-24-15(2)29-22/h4-8,13,16H,3,9-12,14H2,1-2H3,(H,23,27)
• InChIKey: GPEKZERSAQBFAX-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 71.26 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	410.54
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide (CID 24817026) is 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide is CCc1ccc(CN2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)o1.

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

The InChIKey is GPEKZERSAQBFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-19-7-8-20(28-19)14-26-11-9-16(10-12-26)21(27)23-18-6-4-5-17(13-18)22-25-24-15(2)29-22/h4-8,13,16H,3,9-12,14H2,1-2H3,(H,23,27).

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

1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24817026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).