2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide

C25H38F6N2O2 — CID 162588674

About 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide

2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide (PubChem CID 162588674) has the molecular formula C25H38F6N2O2 and a molecular weight of 512.58 g/mol. Its IUPAC name is 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide
• PubChem CID: 162588674
• Molecular Formula: C25H38F6N2O2
• Molecular Weight: 512.58 g/mol
• Exact Mass: 512.28
• IUPAC Name: 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide
• SMILES: C/C(=C\C([C@@H](C)CNC(=O)CC1CCN(C(=O)CC2(C)CCCCC2)CC1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C25H38F6N2O2/c1-17(20(25(29,30)31)13-18(2)24(26,27)28)16-32-21(34)14-19-7-11-33(12-8-19)22(35)15-23(3)9-5-4-6-10-23/h13,17,19-20H,4-12,14-16H2,1-3H3,(H,32,34)/b18-13+/t17-,20?/m0/s1
• InChIKey: WAVIDUABYMPERI-TVQJNFSMSA-N
• XLogP: 6.41
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.58
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide?

The IUPAC name of 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide (CID 162588674) is 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide.

What is the SMILES notation for 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide?

The canonical SMILES for 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide is C/C(=C\C([C@@H](C)CNC(=O)CC1CCN(C(=O)CC2(C)CCCCC2)CC1)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide?

The InChIKey is WAVIDUABYMPERI-TVQJNFSMSA-N. The full InChI is InChI=1S/C25H38F6N2O2/c1-17(20(25(29,30)31)13-18(2)24(26,27)28)16-32-21(34)14-19-7-11-33(12-8-19)22(35)15-23(3)9-5-4-6-10-23/h13,17,19-20H,4-12,14-16H2,1-3H3,(H,32,34)/b18-13+/t17-,20?/m0/s1.

What are the key properties of 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide?

2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide has a molecular weight of 512.58 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(1-methylcyclohexyl)acetyl]piperidin-4-yl]-N-[(E,2R)-6,6,6-trifluoro-2,5-dimethyl-3-(trifluoromethyl)hex-4-enyl]acetamide is sourced from PubChem (CID 162588674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).