1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone

C93H119F3N10O9 — CID 161132411

About 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone

1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone (PubChem CID 161132411) has the molecular formula C93H119F3N10O9 and a molecular weight of 1578.03 g/mol. Its IUPAC name is 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
• PubChem CID: 161132411
• Molecular Formula: C93H119F3N10O9
• Molecular Weight: 1578.03 g/mol
• Exact Mass: 1576.91
• IUPAC Name: 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCNCCOc2ccccc2)c2c(C)cccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(N4CCOCC4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC4CCCCC4C3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(C(F)(F)F)cc4)CC3)c12
• InChI: InChI=1S/C25H28F3N3O2.C23H33N3O3.C23H32N2O2.C22H26N2O2/c1-18(32)22-17-31(24-21(22)5-3-6-23(24)33-2)12-4-11-29-13-15-30(16-14-29)20-9-7-19(8-10-20)25(26,27)28;1-18(27)21-17-26(23-20(21)5-3-6-22(23)28-2)10-4-9-24-11-7-19(8-12-24)25-13-15-29-16-14-25;1-17(26)21-16-25(23-20(21)9-5-10-22(23)27-2)13-6-12-24-14-11-18-7-3-4-8-19(18)15-24;1-17-8-6-11-20-21(18(2)25)16-24(22(17)20)14-7-12-23-13-15-26-19-9-4-3-5-10-19/h3,5-10,17H,4,11-16H2,1-2H3;3,5-6,17,19H,4,7-16H2,1-2H3;5,9-10,16,18-19H,3-4,6-8,11-15H2,1-2H3;3-6,8-11,16,23H,7,12-15H2,1-2H3
• InChIKey: UMJFPKZLJBMENZ-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 162.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 29
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.03
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone (CID 161132411) is 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCNCCOc2ccccc2)c2c(C)cccc12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(N4CCOCC4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC4CCCCC4C3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(C(F)(F)F)cc4)CC3)c12.

What is the InChIKey of 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone?

The InChIKey is UMJFPKZLJBMENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2.C23H33N3O3.C23H32N2O2.C22H26N2O2/c1-18(32)22-17-31(24-21(22)5-3-6-23(24)33-2)12-4-11-29-13-15-30(16-14-29)20-9-7-19(8-10-20)25(26,27)28;1-18(27)21-17-26(23-20(21)5-3-6-22(23)28-2)10-4-9-24-11-7-19(8-12-24)25-13-15-29-16-14-25;1-17(26)21-16-25(23-20(21)9-5-10-22(23)27-2)13-6-12-24-14-11-18-7-3-4-8-19(18)15-24;1-17-8-6-11-20-21(18(2)25)16-24(22(17)20)14-7-12-23-13-15-26-19-9-4-3-5-10-19/h3,5-10,17H,4,11-16H2,1-2H3;3,5-6,17,19H,4,7-16H2,1-2H3;5,9-10,16,18-19H,3-4,6-8,11-15H2,1-2H3;3-6,8-11,16,23H,7,12-15H2,1-2H3.

What are the key properties of 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone?

1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone has a molecular weight of 1578.03 g/mol, XLogP of 17.09, 29 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 161132411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).