5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione

C51H61N5O6 — CID 170729133

About 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione

5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione (PubChem CID 170729133) has the molecular formula C51H61N5O6 and a molecular weight of 840.08 g/mol. Its IUPAC name is 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione.

Molecular Properties

• Compound Name: 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione
• PubChem CID: 170729133
• Molecular Formula: C51H61N5O6
• Molecular Weight: 840.08 g/mol
• Exact Mass: 839.46
• IUPAC Name: 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione
• SMILES: C=C1NCc2c1ccc1c2OCC2CN(C)CCN12.COc1cc(N2CCC3(CCCO3)CC2)ccc1C1c2ccc(O)cc2CCC1c1ccccc1.O=C1CCCC(=O)N1
• InChI: InChI=1S/C31H35NO3.C15H19N3O.C5H7NO2/c1-34-29-21-24(32-17-15-31(16-18-32)14-5-19-35-31)9-12-28(29)30-26(22-6-3-2-4-7-22)11-8-23-20-25(33)10-13-27(23)30;1-10-12-3-4-14-15(13(12)7-16-10)19-9-11-8-17(2)5-6-18(11)14;7-4-2-1-3-5(8)6-4/h2-4,6-7,9-10,12-13,20-21,26,30,33H,5,8,11,14-19H2,1H3;3-4,11,16H,1,5-9H2,2H3;1-3H2,(H,6,7,8)
• InChIKey: UIKIRECKWWYSRT-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 115.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.08
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione?

The IUPAC name of 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione (CID 170729133) is 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione.

What is the SMILES notation for 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione?

The canonical SMILES for 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione is C=C1NCc2c1ccc1c2OCC2CN(C)CCN12.COc1cc(N2CCC3(CCCO3)CC2)ccc1C1c2ccc(O)cc2CCC1c1ccccc1.O=C1CCCC(=O)N1.

What is the InChIKey of 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione?

The InChIKey is UIKIRECKWWYSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO3.C15H19N3O.C5H7NO2/c1-34-29-21-24(32-17-15-31(16-18-32)14-5-19-35-31)9-12-28(29)30-26(22-6-3-2-4-7-22)11-8-23-20-25(33)10-13-27(23)30;1-10-12-3-4-14-15(13(12)7-16-10)19-9-11-8-17(2)5-6-18(11)14;7-4-2-1-3-5(8)6-4/h2-4,6-7,9-10,12-13,20-21,26,30,33H,5,8,11,14-19H2,1H3;3-4,11,16H,1,5-9H2,2H3;1-3H2,(H,6,7,8).

What are the key properties of 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione?

5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione has a molecular weight of 840.08 g/mol, XLogP of 7.50, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;5-methyl-14-methylidene-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-triene;piperidine-2,6-dione is sourced from PubChem (CID 170729133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).