N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane

C48H57N5O5 — CID 142367569

About N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane

N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane (PubChem CID 142367569) has the molecular formula C48H57N5O5 and a molecular weight of 784.01 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane
• PubChem CID: 142367569
• Molecular Formula: C48H57N5O5
• Molecular Weight: 784.01 g/mol
• Exact Mass: 783.44
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane
• SMILES: CC.Cc1ccc(N2CCN(CC3CCN(c4ccc(C5c6ccc(O)cc6CCC5c5ccccc5)cc4)CC3)CC2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O
• InChI: InChI=1S/C46H51N5O5.C2H6/c1-31-7-11-37(28-41(31)46(56)51(30-52)42-17-18-43(54)47-45(42)55)50-25-23-48(24-26-50)29-32-19-21-49(22-20-32)36-12-8-34(9-13-36)44-39(33-5-3-2-4-6-33)15-10-35-27-38(53)14-16-40(35)44;1-2/h2-9,11-14,16,27-28,30,32,39,42,44,53H,10,15,17-26,29H2,1H3,(H,47,54,55);1-2H3
• InChIKey: KPOHSAJCUPKOLU-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 113.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.01
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane (CID 142367569) is N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane is CC.Cc1ccc(N2CCN(CC3CCN(c4ccc(C5c6ccc(O)cc6CCC5c5ccccc5)cc4)CC3)CC2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane?

The InChIKey is KPOHSAJCUPKOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51N5O5.C2H6/c1-31-7-11-37(28-41(31)46(56)51(30-52)42-17-18-43(54)47-45(42)55)50-25-23-48(24-26-50)29-32-19-21-49(22-20-32)36-12-8-34(9-13-36)44-39(33-5-3-2-4-6-33)15-10-35-27-38(53)14-16-40(35)44;1-2/h2-9,11-14,16,27-28,30,32,39,42,44,53H,10,15,17-26,29H2,1H3,(H,47,54,55);1-2H3.

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane?

N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane has a molecular weight of 784.01 g/mol, XLogP of 7.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylbenzamide;ethane is sourced from PubChem (CID 142367569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).