1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide

C44H47F3N8O6 — CID 162681866

About 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide

1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 162681866) has the molecular formula C44H47F3N8O6 and a molecular weight of 840.90 g/mol. Its IUPAC name is 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 162681866
• Molecular Formula: C44H47F3N8O6
• Molecular Weight: 840.90 g/mol
• Exact Mass: 840.36
• IUPAC Name: 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide
• SMILES: N#Cc1ccc(N2CCC(C(=O)Nc3ccc(OCC4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C44H47F3N8O6/c45-44(46,47)36-22-32(2-1-30(36)23-48)54-19-13-29(14-20-54)40(57)50-38-7-4-33(24-49-38)61-26-28-9-15-52(16-10-28)25-27-11-17-53(18-12-27)31-3-5-34-35(21-31)43(60)55(42(34)59)37-6-8-39(56)51-41(37)58/h1-5,7,21-22,24,27-29,37H,6,8-20,25-26H2,(H,49,50,57)(H,51,56,58)
• InChIKey: IXOUEEAUSRRARY-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 168.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	840.90
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide?

The IUPAC name of 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide (CID 162681866) is 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3ccc(OCC4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide?

The InChIKey is IXOUEEAUSRRARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47F3N8O6/c45-44(46,47)36-22-32(2-1-30(36)23-48)54-19-13-29(14-20-54)40(57)50-38-7-4-33(24-49-38)61-26-28-9-15-52(16-10-28)25-27-11-17-53(18-12-27)31-3-5-34-35(21-31)43(60)55(42(34)59)37-6-8-39(56)51-41(37)58/h1-5,7,21-22,24,27-29,37H,6,8-20,25-26H2,(H,49,50,57)(H,51,56,58).

What are the key properties of 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide?

1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 840.90 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 162681866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).