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

C49H57N5O5 — CID 170728855

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

benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 170728855) has the molecular formula C49H57N5O5 and a molecular weight of 796.02 g/mol. Its IUPAC name is benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 170728855
• Molecular Formula: C49H57N5O5
• Molecular Weight: 796.02 g/mol
• Exact Mass: 795.44
• IUPAC Name: benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: O=C1CCC(N2Cc3c(ccc4c3OCC3CN(CC5CC6(CCN(c7ccccc7)CC6)C5)CCN43)C2=O)C(=O)N1.Oc1ccc2c(c1)CCCC2.c1ccccc1
• InChI: InChI=1S/C33H39N5O4.C10H12O.C6H6/c39-29-9-8-28(31(40)34-29)38-20-26-25(32(38)41)6-7-27-30(26)42-21-24-19-35(14-15-37(24)27)18-22-16-33(17-22)10-12-36(13-11-33)23-4-2-1-3-5-23;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h1-7,22,24,28H,8-21H2,(H,34,39,40);5-7,11H,1-4H2;1-6H
• InChIKey: DXYNKFVALRZQCS-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 105.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.02
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol (CID 170728855) is benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol.

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

The canonical SMILES for benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol is O=C1CCC(N2Cc3c(ccc4c3OCC3CN(CC5CC6(CCN(c7ccccc7)CC6)C5)CCN43)C2=O)C(=O)N1.Oc1ccc2c(c1)CCCC2.c1ccccc1.

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

The InChIKey is DXYNKFVALRZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O4.C10H12O.C6H6/c39-29-9-8-28(31(40)34-29)38-20-26-25(32(38)41)6-7-27-30(26)42-21-24-19-35(14-15-37(24)27)18-22-16-33(17-22)10-12-36(13-11-33)23-4-2-1-3-5-23;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h1-7,22,24,28H,8-21H2,(H,34,39,40);5-7,11H,1-4H2;1-6H.

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

benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 796.02 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;3-[14-oxo-5-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 170728855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).