(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone

C26H32N4O2S — CID 92667756

About (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone

(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone (PubChem CID 92667756) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
• PubChem CID: 92667756
• Molecular Formula: C26H32N4O2S
• Molecular Weight: 464.64 g/mol
• Exact Mass: 464.22
• IUPAC Name: (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
• SMILES: CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCN(Cc5ccccc5)CC4)C3)sc2c1
• InChI: InChI=1S/C26H32N4O2S/c1-2-32-22-10-11-23-24(17-22)33-26(27-23)30-12-6-9-21(19-30)25(31)29-15-13-28(14-16-29)18-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,21H,2,6,9,12-16,18-19H2,1H3/t21-/m1/s1
• InChIKey: UTKRCOWOPHRPHG-OAQYLSRUSA-N
• XLogP: 4.26
• TPSA: 48.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.64
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?

The IUPAC name of (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone (CID 92667756) is (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone.

What is the SMILES notation for (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?

The canonical SMILES for (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone is CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCN(Cc5ccccc5)CC4)C3)sc2c1.

What is the InChIKey of (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?

The InChIKey is UTKRCOWOPHRPHG-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-2-32-22-10-11-23-24(17-22)33-26(27-23)30-12-6-9-21(19-30)25(31)29-15-13-28(14-16-29)18-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,21H,2,6,9,12-16,18-19H2,1H3/t21-/m1/s1.

What are the key properties of (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?

(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone has a molecular weight of 464.64 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 92667756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).