[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone

C24H28N4O3S — CID 90612052

About [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone (PubChem CID 90612052) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
• PubChem CID: 90612052
• Molecular Formula: C24H28N4O3S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.19
• IUPAC Name: [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
• SMILES: COc1ccc2nc(N3CCCC(C(=O)N4CCN(c5ccccc5O)CC4)C3)sc2c1
• InChI: InChI=1S/C24H28N4O3S/c1-31-18-8-9-19-22(15-18)32-24(25-19)28-10-4-5-17(16-28)23(30)27-13-11-26(12-14-27)20-6-2-3-7-21(20)29/h2-3,6-9,15,17,29H,4-5,10-14,16H2,1H3
• InChIKey: JNXUWALLDLGCJH-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 69.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?

The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone (CID 90612052) is [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone.

What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?

The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone is COc1ccc2nc(N3CCCC(C(=O)N4CCN(c5ccccc5O)CC4)C3)sc2c1.

What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?

The InChIKey is JNXUWALLDLGCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-31-18-8-9-19-22(15-18)32-24(25-19)28-10-4-5-17(16-28)23(30)27-13-11-26(12-14-27)20-6-2-3-7-21(20)29/h2-3,6-9,15,17,29H,4-5,10-14,16H2,1H3.

What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone?

[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone has a molecular weight of 452.58 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 90612052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).