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

C19H32Cl2N4O2S — CID 119488004

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

2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride (PubChem CID 119488004) has the molecular formula C19H32Cl2N4O2S and a molecular weight of 451.46 g/mol. Its IUPAC name is 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
• PubChem CID: 119488004
• Molecular Formula: C19H32Cl2N4O2S
• Molecular Weight: 451.46 g/mol
• Exact Mass: 450.16
• IUPAC Name: 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
• SMILES: CNC1CCCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)C1.Cl.Cl
• InChI: InChI=1S/C19H30N4O2S.2ClH/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);2*1H
• InChIKey: IGILOVFVFOBZDL-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.46
LogP ≤ 5	3.87
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;dihydrochloride?

The IUPAC name of 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride (CID 119488004) is 2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride.

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

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

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

The InChIKey is IGILOVFVFOBZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S.2ClH/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);2*1H.

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

2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride has a molecular weight of 451.46 g/mol, XLogP of 3.87, 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;dihydrochloride is sourced from PubChem (CID 119488004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).