2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide

C23H25N3O2S — CID 108523560

About 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide

2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide (PubChem CID 108523560) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide
• PubChem CID: 108523560
• Molecular Formula: C23H25N3O2S
• Molecular Weight: 407.54 g/mol
• Exact Mass: 407.17
• IUPAC Name: 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide
• SMILES: CCC1CCCCN1C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
• InChI: InChI=1S/C23H25N3O2S/c1-3-18-6-4-5-13-26(18)23(28)21(27)24-17-10-8-16(9-11-17)22-25-19-12-7-15(2)14-20(19)29-22/h7-12,14,18H,3-6,13H2,1-2H3,(H,24,27)
• InChIKey: DLEDIZNFAZQOEG-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.54
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide?

The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide (CID 108523560) is 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide.

What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide?

The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide is CCC1CCCCN1C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1.

What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide?

The InChIKey is DLEDIZNFAZQOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-3-18-6-4-5-13-26(18)23(28)21(27)24-17-10-8-16(9-11-17)22-25-19-12-7-15(2)14-20(19)29-22/h7-12,14,18H,3-6,13H2,1-2H3,(H,24,27).

What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide?

2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide has a molecular weight of 407.54 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 108523560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).