2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

C45H48N6O8 — CID 168510267

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 168510267) has the molecular formula C45H48N6O8 and a molecular weight of 800.91 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 168510267
• Molecular Formula: C45H48N6O8
• Molecular Weight: 800.91 g/mol
• Exact Mass: 800.35
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)oc2c1C1=CCN(C)CC1
• InChI: InChI=1S/C45H48N6O8/c1-47-15-13-29(14-16-47)40-38(58-2)25-36(53)41-35(52)24-37(59-42(40)41)28-3-5-30(6-4-28)50-21-19-48(20-22-50)26-27-11-17-49(18-12-27)31-7-8-32-33(23-31)45(57)51(44(32)56)34-9-10-39(54)46-43(34)55/h3-8,13,23-25,27,34,53H,9-12,14-22,26H2,1-2H3,(H,46,54,55)
• InChIKey: XYXVVDGNOBODDO-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 156.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.91
LogP ≤ 5	4.33
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 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (CID 168510267) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)oc2c1C1=CCN(C)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is XYXVVDGNOBODDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48N6O8/c1-47-15-13-29(14-16-47)40-38(58-2)25-36(53)41-35(52)24-37(59-42(40)41)28-3-5-30(6-4-28)50-21-19-48(20-22-50)26-27-11-17-49(18-12-27)31-7-8-32-33(23-31)45(57)51(44(32)56)34-9-10-39(54)46-43(34)55/h3-8,13,23-25,27,34,53H,9-12,14-22,26H2,1-2H3,(H,46,54,55).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 800.91 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 168510267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).