3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C51H59N5O6 — CID 170728936

About 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 170728936) has the molecular formula C51H59N5O6 and a molecular weight of 838.06 g/mol. Its IUPAC name is 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 170728936
• Molecular Formula: C51H59N5O6
• Molecular Weight: 838.06 g/mol
• Exact Mass: 837.45
• IUPAC Name: 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: COc1cccc(N2CCC3(CC2)CC(CN2CCN4c5ccc6c(c5OCC4C2)CN(C2CCC(=O)N(C)C2=O)C6=O)C3)c1.Oc1ccc2c(c1)CC[C@H](c1ccccc1)C2
• InChI: InChI=1S/C35H43N5O5.C16H16O/c1-36-31(41)9-8-30(34(36)43)40-21-28-27(33(40)42)6-7-29-32(28)45-22-25-20-37(14-15-39(25)29)19-23-17-35(18-23)10-12-38(13-11-35)24-4-3-5-26(16-24)44-2;17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h3-7,16,23,25,30H,8-15,17-22H2,1-2H3;1-5,8-9,11,13,17H,6-7,10H2/t;13-/m.0/s1
• InChIKey: FWRGIRAHIOMDKH-RSJBZBQMSA-N
• XLogP: 7.04
• TPSA: 106.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.06
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 170728936) is 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cccc(N2CCC3(CC2)CC(CN2CCN4c5ccc6c(c5OCC4C2)CN(C2CCC(=O)N(C)C2=O)C6=O)C3)c1.Oc1ccc2c(c1)CC[C@H](c1ccccc1)C2.

What is the InChIKey of 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is FWRGIRAHIOMDKH-RSJBZBQMSA-N. The full InChI is InChI=1S/C35H43N5O5.C16H16O/c1-36-31(41)9-8-30(34(36)43)40-21-28-27(33(40)42)6-7-29-32(28)45-22-25-20-37(14-15-39(25)29)19-23-17-35(18-23)10-12-38(13-11-35)24-4-3-5-26(16-24)44-2;17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h3-7,16,23,25,30H,8-15,17-22H2,1-2H3;1-5,8-9,11,13,17H,6-7,10H2/t;13-/m.0/s1.

What are the key properties of 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 838.06 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 170728936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).