1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione

C143H166FN15O17 — CID 158049059

About 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione

1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione (PubChem CID 158049059) has the molecular formula C143H166FN15O17 and a molecular weight of 2385.99 g/mol. Its IUPAC name is 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione.

Molecular Properties

• Compound Name: 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione
• PubChem CID: 158049059
• Molecular Formula: C143H166FN15O17
• Molecular Weight: 2385.99 g/mol
• Exact Mass: 2384.26
• IUPAC Name: 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione
• SMILES: CC1CN(C(C)c2ccccc2)C(C)CN1C(=O)c1ccc2[nH]cc(C(=O)C(=O)N(C)C)c2c1.COc1cc2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c2cc1C(=O)C1CCC(C)(Cc2ccccc2)CC1.COc1cc2[nH]cc(C(=O)C(C)=O)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1cccc(CN2CC(C)C(C(=O)c3ccc4[nH]cc(C(=O)C(=O)N(C)C)c4c3)CC2C)c1.Cc1cccc(CN2CC(C)N(C(=O)c3ccc4[nH]cc(C(=O)C(=O)C5CCC(C)CC5)c4c3)CC2C)c1
• InChI: InChI=1S/C32H39N3O3.C31H37N3O4.C28H33N3O3.C27H32N4O3.C25H25FN2O4/c1-20-8-10-25(11-9-20)30(36)31(37)28-16-33-29-13-12-26(15-27(28)29)32(38)35-18-22(3)34(17-23(35)4)19-24-7-5-6-21(2)14-24;1-31(19-21-7-5-4-6-8-21)11-9-22(10-12-31)28(35)24-17-23-25(20-32-26(23)18-27(24)38-3)29(36)30(37)34-15-13-33(2)14-16-34;1-17-7-6-8-20(11-17)16-31-15-18(2)22(12-19(31)3)26(32)21-9-10-25-23(13-21)24(14-29-25)27(33)28(34)30(4)5;1-17-16-31(18(2)15-30(17)19(3)20-9-7-6-8-10-20)26(33)21-11-12-24-22(13-21)23(14-28-24)25(32)27(34)29(4)5;1-15(29)24(30)21-14-27-22-13-23(32-2)20(12-19(21)22)25(31)28-9-7-17(8-10-28)11-16-3-5-18(26)6-4-16/h5-7,12-16,20,22-23,25,33H,8-11,17-19H2,1-4H3;4-8,17-18,20,22,32H,9-16,19H2,1-3H3;6-11,13-14,18-19,22,29H,12,15-16H2,1-5H3;6-14,17-19,28H,15-16H2,1-5H3;3-6,12-14,17,27H,7-11H2,1-2H3
• InChIKey: FJGLIAPACCNAEO-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 385.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2385.99
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione?

The IUPAC name of 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione (CID 158049059) is 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione.

What is the SMILES notation for 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione?

The canonical SMILES for 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione is CC1CN(C(C)c2ccccc2)C(C)CN1C(=O)c1ccc2[nH]cc(C(=O)C(=O)N(C)C)c2c1.COc1cc2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c2cc1C(=O)C1CCC(C)(Cc2ccccc2)CC1.COc1cc2[nH]cc(C(=O)C(C)=O)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1cccc(CN2CC(C)C(C(=O)c3ccc4[nH]cc(C(=O)C(=O)N(C)C)c4c3)CC2C)c1.Cc1cccc(CN2CC(C)N(C(=O)c3ccc4[nH]cc(C(=O)C(=O)C5CCC(C)CC5)c4c3)CC2C)c1.

What is the InChIKey of 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione?

The InChIKey is FJGLIAPACCNAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O3.C31H37N3O4.C28H33N3O3.C27H32N4O3.C25H25FN2O4/c1-20-8-10-25(11-9-20)30(36)31(37)28-16-33-29-13-12-26(15-27(28)29)32(38)35-18-22(3)34(17-23(35)4)19-24-7-5-6-21(2)14-24;1-31(19-21-7-5-4-6-8-21)11-9-22(10-12-31)28(35)24-17-23-25(20-32-26(23)18-27(24)38-3)29(36)30(37)34-15-13-33(2)14-16-34;1-17-7-6-8-20(11-17)16-31-15-18(2)22(12-19(31)3)26(32)21-9-10-25-23(13-21)24(14-29-25)27(33)28(34)30(4)5;1-17-16-31(18(2)15-30(17)19(3)20-9-7-6-8-10-20)26(33)21-11-12-24-22(13-21)23(14-28-24)25(32)27(34)29(4)5;1-15(29)24(30)21-14-27-22-13-23(32-2)20(12-19(21)22)25(31)28-9-7-17(8-10-28)11-16-3-5-18(26)6-4-16/h5-7,12-16,20,22-23,25,33H,8-11,17-19H2,1-4H3;4-8,17-18,20,22,32H,9-16,19H2,1-3H3;6-11,13-14,18-19,22,29H,12,15-16H2,1-5H3;6-14,17-19,28H,15-16H2,1-5H3;3-6,12-14,17,27H,7-11H2,1-2H3.

What are the key properties of 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione?

1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione has a molecular weight of 2385.99 g/mol, XLogP of 22.94, 30 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-benzyl-4-methylcyclohexanecarbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[2,5-dimethyl-4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-indol-3-yl]-2-(4-methylcyclohexyl)ethane-1,2-dione;2-[5-[2,5-dimethyl-1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]propane-1,2-dione is sourced from PubChem (CID 158049059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).