2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide

C34H33F3N4O4 — CID 68516902

About 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide

2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (PubChem CID 68516902) has the molecular formula C34H33F3N4O4 and a molecular weight of 618.66 g/mol. Its IUPAC name is 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
• PubChem CID: 68516902
• Molecular Formula: C34H33F3N4O4
• Molecular Weight: 618.66 g/mol
• Exact Mass: 618.25
• IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
• SMILES: O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N(C(=O)CN2CCC(N3C(=O)c4ccccc4C3=O)CC2)c2ccccc2)CC1
• InChI: InChI=1S/C34H33F3N4O4/c35-34(36,37)24-12-10-23(11-13-24)31(43)39-20-16-26(17-21-39)40(25-6-2-1-3-7-25)30(42)22-38-18-14-27(15-19-38)41-32(44)28-8-4-5-9-29(28)33(41)45/h1-13,26-27H,14-22H2
• InChIKey: XGBVWVHJXYBPRH-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 81.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.66
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?

The IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (CID 68516902) is 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N(C(=O)CN2CCC(N3C(=O)c4ccccc4C3=O)CC2)c2ccccc2)CC1.

What is the InChIKey of 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?

The InChIKey is XGBVWVHJXYBPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N4O4/c35-34(36,37)24-12-10-23(11-13-24)31(43)39-20-16-26(17-21-39)40(25-6-2-1-3-7-25)30(42)22-38-18-14-27(15-19-38)41-32(44)28-8-4-5-9-29(28)33(41)45/h1-13,26-27H,14-22H2.

What are the key properties of 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?

2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide has a molecular weight of 618.66 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 68516902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).