2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C25H29N3O2S — CID 56541158

About 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56541158) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
• PubChem CID: 56541158
• Molecular Formula: C25H29N3O2S
• Molecular Weight: 435.59 g/mol
• Exact Mass: 435.20
• IUPAC Name: 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
• SMILES: O=C(CN1CCC(CCc2ccc(O)cc2)CC1)NC(c1ccccc1)c1nccs1
• InChI: InChI=1S/C25H29N3O2S/c29-22-10-8-19(9-11-22)6-7-20-12-15-28(16-13-20)18-23(30)27-24(25-26-14-17-31-25)21-4-2-1-3-5-21/h1-5,8-11,14,17,20,24,29H,6-7,12-13,15-16,18H2,(H,27,30)
• InChIKey: GYCISPMDVUKIJG-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.59
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56541158) is 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is O=C(CN1CCC(CCc2ccc(O)cc2)CC1)NC(c1ccccc1)c1nccs1.

What is the InChIKey of 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The InChIKey is GYCISPMDVUKIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c29-22-10-8-19(9-11-22)6-7-20-12-15-28(16-13-20)18-23(30)27-24(25-26-14-17-31-25)21-4-2-1-3-5-21/h1-5,8-11,14,17,20,24,29H,6-7,12-13,15-16,18H2,(H,27,30).

What are the key properties of 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 435.59 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56541158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).