ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C50H65N5O6 — CID 170729643

About ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 170729643) has the molecular formula C50H65N5O6 and a molecular weight of 832.10 g/mol. Its IUPAC name is ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 170729643
• Molecular Formula: C50H65N5O6
• Molecular Weight: 832.10 g/mol
• Exact Mass: 831.49
• IUPAC Name: ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: CC.CNC(=O)CCCC=O.COc1cccc(N2CCC(CN3CCN4c5cc6c(cc5OCC4C3)C(=O)NC6)CC2)c1.Oc1ccc2c(c1)CC[C@@H](c1ccccc1)C2
• InChI: InChI=1S/C26H32N4O3.C16H16O.C6H11NO2.C2H6/c1-32-22-4-2-3-20(12-22)29-7-5-18(6-8-29)15-28-9-10-30-21(16-28)17-33-25-13-23-19(11-24(25)30)14-27-26(23)31;17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12;1-7-6(9)4-2-3-5-8;1-2/h2-4,11-13,18,21H,5-10,14-17H2,1H3,(H,27,31);1-5,8-9,11,13,17H,6-7,10H2;5H,2-4H2,1H3,(H,7,9);1-2H3/t;13-;;/m.1../s1
• InChIKey: YIZRYAZFIREEIJ-DHGFTJAXSA-N
• XLogP: 7.53
• TPSA: 123.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.10
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 170729643) is ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is CC.CNC(=O)CCCC=O.COc1cccc(N2CCC(CN3CCN4c5cc6c(cc5OCC4C3)C(=O)NC6)CC2)c1.Oc1ccc2c(c1)CC[C@@H](c1ccccc1)C2.

What is the InChIKey of ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is YIZRYAZFIREEIJ-DHGFTJAXSA-N. The full InChI is InChI=1S/C26H32N4O3.C16H16O.C6H11NO2.C2H6/c1-32-22-4-2-3-20(12-22)29-7-5-18(6-8-29)15-28-9-10-30-21(16-28)17-33-25-13-23-19(11-24(25)30)14-27-26(23)31;17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12;1-7-6(9)4-2-3-5-8;1-2/h2-4,11-13,18,21H,5-10,14-17H2,1H3,(H,27,31);1-5,8-9,11,13,17H,6-7,10H2;5H,2-4H2,1H3,(H,7,9);1-2H3/t;13-;;/m.1../s1.

What are the key properties of ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 832.10 g/mol, XLogP of 7.53, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 170729643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).