N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

C27H27N3O4S — CID 43054880

About N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 43054880) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
• PubChem CID: 43054880
• Molecular Formula: C27H27N3O4S
• Molecular Weight: 489.60 g/mol
• Exact Mass: 489.17
• IUPAC Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
• SMILES: CCOc1ccc2nc(N(Cc3ccccc3)C(=O)C3CCCN(C(=O)c4ccoc4)C3)sc2c1
• InChI: InChI=1S/C27H27N3O4S/c1-2-34-22-10-11-23-24(15-22)35-27(28-23)30(16-19-7-4-3-5-8-19)26(32)20-9-6-13-29(17-20)25(31)21-12-14-33-18-21/h3-5,7-8,10-12,14-15,18,20H,2,6,9,13,16-17H2,1H3
• InChIKey: PTEWOTPBWTYUNF-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 75.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 43054880) is N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is CCOc1ccc2nc(N(Cc3ccccc3)C(=O)C3CCCN(C(=O)c4ccoc4)C3)sc2c1.

What is the InChIKey of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?

The InChIKey is PTEWOTPBWTYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-2-34-22-10-11-23-24(15-22)35-27(28-23)30(16-19-7-4-3-5-8-19)26(32)20-9-6-13-29(17-20)25(31)21-12-14-33-18-21/h3-5,7-8,10-12,14-15,18,20H,2,6,9,13,16-17H2,1H3.

What are the key properties of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43054880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).