4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione

C24H24F3N3O4 — CID 110122469

About 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione

4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione (PubChem CID 110122469) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione.

Molecular Properties

• Compound Name: 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione
• PubChem CID: 110122469
• Molecular Formula: C24H24F3N3O4
• Molecular Weight: 475.47 g/mol
• Exact Mass: 475.17
• IUPAC Name: 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione
• SMILES: O=C1COCC(=O)N1CCC(=O)N1CCCC1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1
• InChI: InChI=1S/C24H24F3N3O4/c25-24(26,27)17-8-6-16(7-9-17)13-18-3-1-4-19(28-18)20-5-2-11-29(20)21(31)10-12-30-22(32)14-34-15-23(30)33/h1,3-4,6-9,20H,2,5,10-15H2
• InChIKey: BVRIJTYMXTZGHX-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 79.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.47
LogP ≤ 5	3.13
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 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione?

The IUPAC name of 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione (CID 110122469) is 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione.

What is the SMILES notation for 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione?

The canonical SMILES for 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione is O=C1COCC(=O)N1CCC(=O)N1CCCC1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1.

What is the InChIKey of 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione?

The InChIKey is BVRIJTYMXTZGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c25-24(26,27)17-8-6-16(7-9-17)13-18-3-1-4-19(28-18)20-5-2-11-29(20)21(31)10-12-30-22(32)14-34-15-23(30)33/h1,3-4,6-9,20H,2,5,10-15H2.

What are the key properties of 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione?

4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione has a molecular weight of 475.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-oxo-3-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propyl]morpholine-3,5-dione is sourced from PubChem (CID 110122469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).