1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide

C25H29F3N2O3 — CID 55782690

About 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide

1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide (PubChem CID 55782690) has the molecular formula C25H29F3N2O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide
• PubChem CID: 55782690
• Molecular Formula: C25H29F3N2O3
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.21
• IUPAC Name: 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide
• SMILES: Cc1cc2c(o1)CC(C)(C)CC2NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
• InChI: InChI=1S/C25H29F3N2O3/c1-15-12-19-20(13-24(2,3)14-21(19)33-15)29-22(31)16-8-10-30(11-9-16)23(32)17-4-6-18(7-5-17)25(26,27)28/h4-7,12,16,20H,8-11,13-14H2,1-3H3,(H,29,31)
• InChIKey: HBGIIPARLGNFNC-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide (CID 55782690) is 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.

What is the InChIKey of 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide?

The InChIKey is HBGIIPARLGNFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O3/c1-15-12-19-20(13-24(2,3)14-21(19)33-15)29-22(31)16-8-10-30(11-9-16)23(32)17-4-6-18(7-5-17)25(26,27)28/h4-7,12,16,20H,8-11,13-14H2,1-3H3,(H,29,31).

What are the key properties of 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide?

1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(trifluoromethyl)benzoyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55782690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).