N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide

C45H52N6O4 — CID 155213483

About N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide

N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide (PubChem CID 155213483) has the molecular formula C45H52N6O4 and a molecular weight of 740.95 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide
• PubChem CID: 155213483
• Molecular Formula: C45H52N6O4
• Molecular Weight: 740.95 g/mol
• Exact Mass: 740.41
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide
• SMILES: CC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCC(CN3CCN(c4ccnc(CC(=O)N(C)C5CCC(=O)NC5=O)c4)CC3)CC2)cc1)c1ccccc1
• InChI: InChI=1S/C45H52N6O4/c1-3-40(33-7-5-4-6-8-33)44(35-11-15-39(52)16-12-35)34-9-13-37(14-10-34)50-23-20-32(21-24-50)31-49-25-27-51(28-26-49)38-19-22-46-36(29-38)30-43(54)48(2)41-17-18-42(53)47-45(41)55/h4-16,19,22,29,32,41,52H,3,17-18,20-21,23-28,30-31H2,1-2H3,(H,47,53,55)/b44-40+
• InChIKey: KYFBUVUHLCRHEY-NECFUIDXSA-N
• XLogP: 6.00
• TPSA: 109.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.95
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide (CID 155213483) is N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide is CC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCC(CN3CCN(c4ccnc(CC(=O)N(C)C5CCC(=O)NC5=O)c4)CC3)CC2)cc1)c1ccccc1.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide?

The InChIKey is KYFBUVUHLCRHEY-NECFUIDXSA-N. The full InChI is InChI=1S/C45H52N6O4/c1-3-40(33-7-5-4-6-8-33)44(35-11-15-39(52)16-12-35)34-9-13-37(14-10-34)50-23-20-32(21-24-50)31-49-25-27-51(28-26-49)38-19-22-46-36(29-38)30-43(54)48(2)41-17-18-42(53)47-45(41)55/h4-16,19,22,29,32,41,52H,3,17-18,20-21,23-28,30-31H2,1-2H3,(H,47,53,55)/b44-40+.

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide?

N-(2,6-dioxopiperidin-3-yl)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide has a molecular weight of 740.95 g/mol, XLogP of 6.00, 11 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)-2-[4-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 155213483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).