1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C21H28N4O3S — CID 10251351

About 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 10251351) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
• PubChem CID: 10251351
• Molecular Formula: C21H28N4O3S
• Molecular Weight: 416.55 g/mol
• Exact Mass: 416.19
• IUPAC Name: 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
• SMILES: COc1cccc(C2(O)CCN(C(=O)CN3CCN(c4nccs4)CC3)CC2)c1
• InChI: InChI=1S/C21H28N4O3S/c1-28-18-4-2-3-17(15-18)21(27)5-8-24(9-6-21)19(26)16-23-10-12-25(13-11-23)20-22-7-14-29-20/h2-4,7,14-15,27H,5-6,8-13,16H2,1H3
• InChIKey: NMMSHDPYDJUXEN-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 69.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.55
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 10251351) is 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is COc1cccc(C2(O)CCN(C(=O)CN3CCN(c4nccs4)CC3)CC2)c1.

What is the InChIKey of 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?

The InChIKey is NMMSHDPYDJUXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-28-18-4-2-3-17(15-18)21(27)5-8-24(9-6-21)19(26)16-23-10-12-25(13-11-23)20-22-7-14-29-20/h2-4,7,14-15,27H,5-6,8-13,16H2,1H3.

What are the key properties of 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?

1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 416.55 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 10251351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).