N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide

C41H45F3N8O8 — CID 163222700

About N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide

N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 163222700) has the molecular formula C41H45F3N8O8 and a molecular weight of 834.85 g/mol. Its IUPAC name is N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
• PubChem CID: 163222700
• Molecular Formula: C41H45F3N8O8
• Molecular Weight: 834.85 g/mol
• Exact Mass: 834.33
• IUPAC Name: N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCOC(C(F)(F)F)C2)cc1-c1cnc(OCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1
• InChI: InChI=1S/C41H45F3N8O8/c1-25-2-3-27(46-40(57)51-15-19-59-34(24-51)41(42,43)44)21-30(25)26-20-33(50-13-16-58-17-14-50)37(45-23-26)60-18-12-48-8-10-49(11-9-48)28-4-5-29-31(22-28)39(56)52(38(29)55)32-6-7-35(53)47-36(32)54/h2-5,20-23,32,34H,6-19,24H2,1H3,(H,46,57)(H,47,53,54)
• InChIKey: YHGOQVRNCFVENI-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 166.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.85
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?

The IUPAC name of N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (CID 163222700) is N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.

What is the SMILES notation for N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?

The canonical SMILES for N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCOC(C(F)(F)F)C2)cc1-c1cnc(OCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1.

What is the InChIKey of N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?

The InChIKey is YHGOQVRNCFVENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45F3N8O8/c1-25-2-3-27(46-40(57)51-15-19-59-34(24-51)41(42,43)44)21-30(25)26-20-33(50-13-16-58-17-14-50)37(45-23-26)60-18-12-48-8-10-49(11-9-48)28-4-5-29-31(22-28)39(56)52(38(29)55)32-6-7-35(53)47-36(32)54/h2-5,20-23,32,34H,6-19,24H2,1H3,(H,46,57)(H,47,53,54).

What are the key properties of N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?

N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 834.85 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 163222700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).