N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide

C49H58N6O5 — CID 170450399

About N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide (PubChem CID 170450399) has the molecular formula C49H58N6O5 and a molecular weight of 811.04 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide
• PubChem CID: 170450399
• Molecular Formula: C49H58N6O5
• Molecular Weight: 811.04 g/mol
• Exact Mass: 810.45
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide
• SMILES: Cc1ccc(N2CCN(CC3CCN(c4ccc(C5=C(c6ccc(C(C)(C)O)nc6)CCCc6cc(O)ccc65)cc4)CC3)CC2)cc1CN(C=O)C1CCC(=O)NC1=O
• InChI: InChI=1S/C49H58N6O5/c1-33-7-11-40(27-38(33)31-55(32-56)44-16-18-46(58)51-48(44)59)54-25-23-52(24-26-54)30-34-19-21-53(22-20-34)39-12-8-35(9-13-39)47-42(37-10-17-45(50-29-37)49(2,3)60)6-4-5-36-28-41(57)14-15-43(36)47/h7-15,17,27-29,32,34,44,57,60H,4-6,16,18-26,30-31H2,1-3H3,(H,51,58,59)
• InChIKey: WHKHFLWHXLTYKP-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 129.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.04
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide (CID 170450399) is N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide is Cc1ccc(N2CCN(CC3CCN(c4ccc(C5=C(c6ccc(C(C)(C)O)nc6)CCCc6cc(O)ccc65)cc4)CC3)CC2)cc1CN(C=O)C1CCC(=O)NC1=O.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide?

The InChIKey is WHKHFLWHXLTYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58N6O5/c1-33-7-11-40(27-38(33)31-55(32-56)44-16-18-46(58)51-48(44)59)54-25-23-52(24-26-54)30-34-19-21-53(22-20-34)39-12-8-35(9-13-39)47-42(37-10-17-45(50-29-37)49(2,3)60)6-4-5-36-28-41(57)14-15-43(36)47/h7-15,17,27-29,32,34,44,57,60H,4-6,16,18-26,30-31H2,1-3H3,(H,51,58,59).

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide?

N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide has a molecular weight of 811.04 g/mol, XLogP of 6.42, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dioxopiperidin-3-yl)-N-[[5-[4-[[1-[4-[2-hydroxy-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylphenyl]methyl]formamide is sourced from PubChem (CID 170450399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).