3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile

C104H109Cl3N12O7 — CID 158034532

About 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile

3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile (PubChem CID 158034532) has the molecular formula C104H109Cl3N12O7 and a molecular weight of 1745.45 g/mol. Its IUPAC name is 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile.

Molecular Properties

• Compound Name: 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile
• PubChem CID: 158034532
• Molecular Formula: C104H109Cl3N12O7
• Molecular Weight: 1745.45 g/mol
• Exact Mass: 1742.76
• IUPAC Name: 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccc(Cl)cc2)C3)c2c(C#N)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccccc2Cl)C3)c2c(C#N)cccc12.CC(=O)c1cn(CCCN2CCCC(Cc3ccccc3Cl)C2)c2c(C#N)cccc12.CC(=O)c1cn(CCCNCCOc2ccccc2)c2c(C#N)cccc12
• InChI: InChI=1S/C29H30ClN3O2.C27H28ClN3O2.C26H28ClN3O.C22H23N3O2/c1-19(34)27-18-32(29-22(17-31)4-2-5-26(27)29)12-3-13-33-24-10-11-25(33)15-20(14-24)16-28(35)21-6-8-23(30)9-7-21;1-18(32)24-17-30(27-19(16-29)6-4-7-23(24)27)12-5-13-31-20-10-11-21(31)15-22(14-20)33-26-9-3-2-8-25(26)28;1-19(31)24-18-30(26-22(16-28)9-4-10-23(24)26)14-6-13-29-12-5-7-20(17-29)15-21-8-2-3-11-25(21)27;1-17(26)21-16-25(22-18(15-23)7-5-10-20(21)22)13-6-11-24-12-14-27-19-8-3-2-4-9-19/h2,4-9,18,20,24-25H,3,10-16H2,1H3;2-4,6-9,17,20-22H,5,10-15H2,1H3;2-4,8-11,18,20H,5-7,12-15,17H2,1H3;2-5,7-10,16,24H,6,11-14H2,1H3
• InChIKey: FHOVCHPKDMATAV-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 240.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 31
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.45
LogP ≤ 5	21.60
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 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile?

The IUPAC name of 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile (CID 158034532) is 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile.

What is the SMILES notation for 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile?

The canonical SMILES for 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile is CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccc(Cl)cc2)C3)c2c(C#N)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccccc2Cl)C3)c2c(C#N)cccc12.CC(=O)c1cn(CCCN2CCCC(Cc3ccccc3Cl)C2)c2c(C#N)cccc12.CC(=O)c1cn(CCCNCCOc2ccccc2)c2c(C#N)cccc12.

What is the InChIKey of 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile?

The InChIKey is FHOVCHPKDMATAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O2.C27H28ClN3O2.C26H28ClN3O.C22H23N3O2/c1-19(34)27-18-32(29-22(17-31)4-2-5-26(27)29)12-3-13-33-24-10-11-25(33)15-20(14-24)16-28(35)21-6-8-23(30)9-7-21;1-18(32)24-17-30(27-19(16-29)6-4-7-23(24)27)12-5-13-31-20-10-11-21(31)15-22(14-20)33-26-9-3-2-8-25(26)28;1-19(31)24-18-30(26-22(16-28)9-4-10-23(24)26)14-6-13-29-12-5-7-20(17-29)15-21-8-2-3-11-25(21)27;1-17(26)21-16-25(22-18(15-23)7-5-10-20(21)22)13-6-11-24-12-14-27-19-8-3-2-4-9-19/h2,4-9,18,20,24-25H,3,10-16H2,1H3;2-4,6-9,17,20-22H,5,10-15H2,1H3;2-4,8-11,18,20H,5-7,12-15,17H2,1H3;2-5,7-10,16,24H,6,11-14H2,1H3.

What are the key properties of 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile?

3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile has a molecular weight of 1745.45 g/mol, XLogP of 21.60, 31 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[(2-chlorophenyl)methyl]piperidin-1-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-7-carbonitrile;3-acetyl-1-[3-(2-phenoxyethylamino)propyl]indole-7-carbonitrile is sourced from PubChem (CID 158034532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).