3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone

C120H128ClN9O9 — CID 157079763

About 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone

3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone (PubChem CID 157079763) has the molecular formula C120H128ClN9O9 and a molecular weight of 1875.85 g/mol. Its IUPAC name is 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone.

Molecular Properties

• Compound Name: 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone
• PubChem CID: 157079763
• Molecular Formula: C120H128ClN9O9
• Molecular Weight: 1875.85 g/mol
• Exact Mass: 1873.95
• IUPAC Name: 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccccc2)C3)c2c(C)cccc12.CC(=O)c1cn(CCCNC2Cc3ccccc3C2)c2c(C#N)cccc12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(CC(=O)c3ccccc3)C4)c12
• InChI: InChI=1S/C34H35ClN2O3.C34H36N2O3.C29H34N2O2.C23H23N3O/c1-40-32-10-5-9-29-30(34(39)25-7-3-2-4-8-25)22-36(33(29)32)17-6-18-37-27-15-16-28(37)20-23(19-27)21-31(38)24-11-13-26(35)14-12-24;1-39-32-15-8-14-29-30(34(38)26-12-6-3-7-13-26)23-35(33(29)32)18-9-19-36-27-16-17-28(36)21-24(20-27)22-31(37)25-10-4-2-5-11-25;1-20-8-6-11-26-27(21(2)32)19-30(29(20)26)14-7-15-31-24-12-13-25(31)17-22(16-24)18-28(33)23-9-4-3-5-10-23;1-16(27)22-15-26(23-19(14-24)8-4-9-21(22)23)11-5-10-25-20-12-17-6-2-3-7-18(17)13-20/h2-5,7-14,22-23,27-28H,6,15-21H2,1H3;2-8,10-15,23-24,27-28H,9,16-22H2,1H3;3-6,8-11,19,22,24-25H,7,12-18H2,1-2H3;2-4,6-9,15,20,25H,5,10-13H2,1H3
• InChIKey: ADJYQQJTMCAQSU-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 203.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.85
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone?

The IUPAC name of 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone (CID 157079763) is 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone.

What is the SMILES notation for 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone?

The canonical SMILES for 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone is CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccccc2)C3)c2c(C)cccc12.CC(=O)c1cn(CCCNC2Cc3ccccc3C2)c2c(C#N)cccc12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(CC(=O)c3ccccc3)C4)c12.

What is the InChIKey of 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone?

The InChIKey is ADJYQQJTMCAQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN2O3.C34H36N2O3.C29H34N2O2.C23H23N3O/c1-40-32-10-5-9-29-30(34(39)25-7-3-2-4-8-25)22-36(33(29)32)17-6-18-37-27-15-16-28(37)20-23(19-27)21-31(38)24-11-13-26(35)14-12-24;1-39-32-15-8-14-29-30(34(38)26-12-6-3-7-13-26)23-35(33(29)32)18-9-19-36-27-16-17-28(36)21-24(20-27)22-31(37)25-10-4-2-5-11-25;1-20-8-6-11-26-27(21(2)32)19-30(29(20)26)14-7-15-31-24-12-13-25(31)17-22(16-24)18-28(33)23-9-4-3-5-10-23;1-16(27)22-15-26(23-19(14-24)8-4-9-21(22)23)11-5-10-25-20-12-17-6-2-3-7-18(17)13-20/h2-5,7-14,22-23,27-28H,6,15-21H2,1H3;2-8,10-15,23-24,27-28H,9,16-22H2,1H3;3-6,8-11,19,22,24-25H,7,12-18H2,1-2H3;2-4,6-9,15,20,25H,5,10-13H2,1H3.

What are the key properties of 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone?

3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone has a molecular weight of 1875.85 g/mol, XLogP of 24.15, 34 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]indole-7-carbonitrile;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone is sourced from PubChem (CID 157079763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).