1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide

C21H24N4O2S — CID 90612068

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 90612068) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
• PubChem CID: 90612068
• Molecular Formula: C21H24N4O2S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.16
• IUPAC Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
• SMILES: COc1ccc2nc(N3CCCC(C(=O)NCCc4ccncc4)C3)sc2c1
• InChI: InChI=1S/C21H24N4O2S/c1-27-17-4-5-18-19(13-17)28-21(24-18)25-12-2-3-16(14-25)20(26)23-11-8-15-6-9-22-10-7-15/h4-7,9-10,13,16H,2-3,8,11-12,14H2,1H3,(H,23,26)
• InChIKey: XOQXPJUOIBKEHT-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide (CID 90612068) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide is COc1ccc2nc(N3CCCC(C(=O)NCCc4ccncc4)C3)sc2c1.

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

The InChIKey is XOQXPJUOIBKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-27-17-4-5-18-19(13-17)28-21(24-18)25-12-2-3-16(14-25)20(26)23-11-8-15-6-9-22-10-7-15/h4-7,9-10,13,16H,2-3,8,11-12,14H2,1H3,(H,23,26).

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

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 90612068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).