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

C19H30N4O2S — CID 119488005

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

2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 119488005) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 119488005
• Molecular Formula: C19H30N4O2S
• Molecular Weight: 378.54 g/mol
• Exact Mass: 378.21
• IUPAC Name: 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CNC1CCCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)C1
• InChI: InChI=1S/C19H30N4O2S/c1-20-15-6-5-10-23(14-15)17(25)13-19(7-3-2-4-8-19)12-16(24)22-18-21-9-11-26-18/h9,11,15,20H,2-8,10,12-14H2,1H3,(H,21,22,24)
• InChIKey: WJJSIELUYPZMBT-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.54
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (CID 119488005) is 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

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

The canonical SMILES for 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is CNC1CCCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)C1.

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

The InChIKey is WJJSIELUYPZMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-20-15-6-5-10-23(14-15)17(25)13-19(7-3-2-4-8-19)12-16(24)22-18-21-9-11-26-18/h9,11,15,20H,2-8,10,12-14H2,1H3,(H,21,22,24).

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

2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 378.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 119488005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).