N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C27H34N4O2S — CID 20883827

About N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 20883827) has the molecular formula C27H34N4O2S and a molecular weight of 478.66 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 20883827
• Molecular Formula: C27H34N4O2S
• Molecular Weight: 478.66 g/mol
• Exact Mass: 478.24
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
• SMILES: CCOc1ccc2nc(N3CCCC(C(=O)NC4CCN(Cc5ccccc5)CC4)C3)sc2c1
• InChI: InChI=1S/C27H34N4O2S/c1-2-33-23-10-11-24-25(17-23)34-27(29-24)31-14-6-9-21(19-31)26(32)28-22-12-15-30(16-13-22)18-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,21-22H,2,6,9,12-16,18-19H2,1H3,(H,28,32)
• InChIKey: DEWXJECCBVUXPP-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.66
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 20883827) is N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CCOc1ccc2nc(N3CCCC(C(=O)NC4CCN(Cc5ccccc5)CC4)C3)sc2c1.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is DEWXJECCBVUXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2S/c1-2-33-23-10-11-24-25(17-23)34-27(29-24)31-14-6-9-21(19-31)26(32)28-22-12-15-30(16-13-22)18-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,21-22H,2,6,9,12-16,18-19H2,1H3,(H,28,32).

What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 478.66 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20883827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).