1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione

C50H58N4O6 — CID 170728446

About 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione

1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione (PubChem CID 170728446) has the molecular formula C50H58N4O6 and a molecular weight of 811.04 g/mol. Its IUPAC name is 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione.

Molecular Properties

• Compound Name: 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione
• PubChem CID: 170728446
• Molecular Formula: C50H58N4O6
• Molecular Weight: 811.04 g/mol
• Exact Mass: 810.44
• IUPAC Name: 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione
• SMILES: CNCc1c(C=O)ccc2c1OCC21CCN(CC2CCC3(CC2)CN(c2ccc(C4c5ccc(O)cc5OCC4c4ccccc4)cc2)C3)CC1.O=C1CCCC(=O)N1
• InChI: InChI=1S/C45H51N3O4.C5H7NO2/c1-46-24-38-34(26-49)9-14-40-43(38)52-30-45(40)19-21-47(22-20-45)25-31-15-17-44(18-16-31)28-48(29-44)35-10-7-33(8-11-35)42-37-13-12-36(50)23-41(37)51-27-39(42)32-5-3-2-4-6-32;7-4-2-1-3-5(8)6-4/h2-14,23,26,31,39,42,46,50H,15-22,24-25,27-30H2,1H3;1-3H2,(H,6,7,8)
• InChIKey: HLZIQGCQCQJUMJ-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 120.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.04
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione?

The IUPAC name of 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione (CID 170728446) is 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione.

What is the SMILES notation for 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione?

The canonical SMILES for 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione is CNCc1c(C=O)ccc2c1OCC21CCN(CC2CCC3(CC2)CN(c2ccc(C4c5ccc(O)cc5OCC4c4ccccc4)cc2)C3)CC1.O=C1CCCC(=O)N1.

What is the InChIKey of 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione?

The InChIKey is HLZIQGCQCQJUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H51N3O4.C5H7NO2/c1-46-24-38-34(26-49)9-14-40-43(38)52-30-45(40)19-21-47(22-20-45)25-31-15-17-44(18-16-31)28-48(29-44)35-10-7-33(8-11-35)42-37-13-12-36(50)23-41(37)51-27-39(42)32-5-3-2-4-6-32;7-4-2-1-3-5(8)6-4/h2-14,23,26,31,39,42,46,50H,15-22,24-25,27-30H2,1H3;1-3H2,(H,6,7,8).

What are the key properties of 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione?

1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione has a molecular weight of 811.04 g/mol, XLogP of 7.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[[2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-(methylaminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-6-carbaldehyde;piperidine-2,6-dione is sourced from PubChem (CID 170728446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).