2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone

C126H157Cl2F3N12O11 — CID 160952053

About 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone

2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 160952053) has the molecular formula C126H157Cl2F3N12O11 and a molecular weight of 2143.61 g/mol. Its IUPAC name is 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 160952053
• Molecular Formula: C126H157Cl2F3N12O11
• Molecular Weight: 2143.61 g/mol
• Exact Mass: 2141.14
• IUPAC Name: 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)CCc1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccccc2)C3)c2c(Cl)cccc12.CCCCC1CCN(CC(C)Cn2cc(C(C)=O)c3ccccc32)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1
• InChI: InChI=1S/C28H31ClN2O2.C26H31ClN2O2.C25H27F3N2O2.C24H34N4O4.C23H34N2O/c1-19(32)25-18-30(28-24(25)9-5-10-26(28)29)13-6-14-31-22-11-12-23(31)16-20(15-22)17-27(33)21-7-3-2-4-8-21;1-20(30)11-12-21-19-29(25-9-4-2-7-23(21)25)16-6-15-28-17-13-22(14-18-28)31-26-10-5-3-8-24(26)27;1-32-23-10-5-3-7-19(23)18-11-15-29(16-12-18)13-6-14-30-17-21(24(31)25(26,27)28)20-8-2-4-9-22(20)30;1-19(29)21-17-28(24-20(21)5-3-6-22(24)31-2)8-4-7-25-9-11-26(12-10-25)18-23(30)27-13-15-32-16-14-27;1-4-5-8-20-11-13-24(14-12-20)15-18(2)16-25-17-22(19(3)26)21-9-6-7-10-23(21)25/h2-5,7-10,18,20,22-23H,6,11-17H2,1H3;2-5,7-10,19,22H,6,11-18H2,1H3;2-5,7-10,17-18H,6,11-16H2,1H3;3,5-6,17H,4,7-16,18H2,1-2H3;6-7,9-10,17-18,20H,4-5,8,11-16H2,1-3H3
• InChIKey: SVWRZMWUMSBLHW-UHFFFAOYSA-N
• XLogP: 24.92
• TPSA: 203.74 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.61
LogP ≤ 5	24.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 160952053) is 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)CCc1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccccc2)C3)c2c(Cl)cccc12.CCCCC1CCN(CC(C)Cn2cc(C(C)=O)c3ccccc32)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.

What is the InChIKey of 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is SVWRZMWUMSBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O2.C26H31ClN2O2.C25H27F3N2O2.C24H34N4O4.C23H34N2O/c1-19(32)25-18-30(28-24(25)9-5-10-26(28)29)13-6-14-31-22-11-12-23(31)16-20(15-22)17-27(33)21-7-3-2-4-8-21;1-20(30)11-12-21-19-29(25-9-4-2-7-23(21)25)16-6-15-28-17-13-22(14-18-28)31-26-10-5-3-8-24(26)27;1-32-23-10-5-3-7-19(23)18-11-15-29(16-12-18)13-6-14-30-17-21(24(31)25(26,27)28)20-8-2-4-9-22(20)30;1-19(29)21-17-28(24-20(21)5-3-6-22(24)31-2)8-4-7-25-9-11-26(12-10-25)18-23(30)27-13-15-32-16-14-27;1-4-5-8-20-11-13-24(14-12-20)15-18(2)16-25-17-22(19(3)26)21-9-6-7-10-23(21)25/h2-5,7-10,18,20,22-23H,6,11-17H2,1H3;2-5,7-10,19,22H,6,11-18H2,1H3;2-5,7-10,17-18H,6,11-16H2,1H3;3,5-6,17H,4,7-16,18H2,1-2H3;6-7,9-10,17-18,20H,4-5,8,11-16H2,1-3H3.

What are the key properties of 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 2143.61 g/mol, XLogP of 24.92, 40 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 160952053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).