2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

C22H31N5O2S — CID 86897078

About 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 86897078) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 86897078
• Molecular Formula: C22H31N5O2S
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.22
• IUPAC Name: 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: Cc1cnn(C2CCCN(C(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)C2)c1
• InChI: InChI=1S/C22H31N5O2S/c1-17-14-24-27(15-17)18-6-5-10-26(16-18)20(29)13-22(7-3-2-4-8-22)12-19(28)25-21-23-9-11-30-21/h9,11,14-15,18H,2-8,10,12-13,16H2,1H3,(H,23,25,28)
• InChIKey: FTDAGKDBJHDREZ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (CID 86897078) is 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cnn(C2CCCN(C(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)C2)c1.

What is the InChIKey of 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is FTDAGKDBJHDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-17-14-24-27(15-17)18-6-5-10-26(16-18)20(29)13-22(7-3-2-4-8-22)12-19(28)25-21-23-9-11-30-21/h9,11,14-15,18H,2-8,10,12-13,16H2,1H3,(H,23,25,28).

What are the key properties of 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86897078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).