2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

C108H134N14O10 — CID 158752853

About 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 158752853) has the molecular formula C108H134N14O10 and a molecular weight of 1788.35 g/mol. Its IUPAC name is 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 158752853
• Molecular Formula: C108H134N14O10
• Molecular Weight: 1788.35 g/mol
• Exact Mass: 1787.04
• IUPAC Name: 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(C)cccc12.CC(=O)c1cn(CCCN2CCCN(CCc3ccccc3)CC2)c2c(C)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(CC(=O)c3ccccc3)C4)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c12
• InChI: InChI=1S/C31H36N2O3.C27H35N3O.C26H29N5O2.C24H34N4O4/c1-36-29-10-5-9-26-27(31(35)23-11-12-23)20-32(30(26)29)15-6-16-33-24-13-14-25(33)18-21(17-24)19-28(34)22-7-3-2-4-8-22;1-22-9-6-12-25-26(23(2)31)21-30(27(22)25)17-8-16-28-14-7-15-29(20-19-28)18-13-24-10-4-3-5-11-24;1-18-5-3-6-22-23(19(2)32)17-31(24(18)22)14-4-13-30-15-9-21(10-16-30)26-28-25(29-33-26)20-7-11-27-12-8-20;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/h2-5,7-10,20-21,23-25H,6,11-19H2,1H3;3-6,9-12,21H,7-8,13-20H2,1-2H3;3,5-8,11-12,17,21H,4,9-10,13-16H2,1-2H3;3,5-6,17H,4,7-16,18H2,1-2H3
• InChIKey: INRSRSGUJSACTD-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 224.32 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.35
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 158752853) is 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(C)cccc12.CC(=O)c1cn(CCCN2CCCN(CCc3ccccc3)CC2)c2c(C)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(CC(=O)c3ccccc3)C4)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c12.

What is the InChIKey of 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is INRSRSGUJSACTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O3.C27H35N3O.C26H29N5O2.C24H34N4O4/c1-36-29-10-5-9-26-27(31(35)23-11-12-23)20-32(30(26)29)15-6-16-33-24-13-14-25(33)18-21(17-24)19-28(34)22-7-3-2-4-8-22;1-22-9-6-12-25-26(23(2)31)21-30(27(22)25)17-8-16-28-14-7-15-29(20-19-28)18-13-24-10-4-3-5-11-24;1-18-5-3-6-22-23(19(2)32)17-31(24(18)22)14-4-13-30-15-9-21(10-16-30)26-28-25(29-33-26)20-7-11-27-12-8-20;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/h2-5,7-10,20-21,23-25H,6,11-19H2,1H3;3-6,9-12,21H,7-8,13-20H2,1-2H3;3,5-8,11-12,17,21H,4,9-10,13-16H2,1-2H3;3,5-6,17H,4,7-16,18H2,1-2H3.

What are the key properties of 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 1788.35 g/mol, XLogP of 17.53, 33 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;1-[7-methyl-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 158752853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).