N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methyl-2-oxo-N-prop-2-ynylacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-piperidin-1-ylethane-1,2-dione;methane
C149H182F5N15O18 — CID 158931298
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methyl-2-oxo-N-prop-2-ynylacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-piperidin-1-ylethane-1,2-dione;methane
N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methyl-2-oxo-N-prop-2-ynylacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-piperidin-1-ylethane-1,2-dione;methane (PubChem CID 158931298) has the molecular formula C149H182F5N15O18 and a molecular weight of 2566.17 g/mol. Its IUPAC name is N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methyl-2-oxo-N-prop-2-ynylacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-piperidin-1-ylethane-1,2-dione;methane.
Molecular Properties
| Compound Name | N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methyl-2-oxo-N-prop-2-ynylacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-piperidin-1-ylethane-1,2-dione;methane |
|---|---|
| PubChem CID | 158931298 |
| Molecular Formula | C149H182F5N15O18 |
| Molecular Weight | 2566.17 g/mol |
| Exact Mass | 2564.37 |
| IUPAC Name | N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methyl-2-oxo-N-prop-2-ynylacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-piperidin-1-ylethane-1,2-dione;methane |
| SMILES | C.C.C.C.C.C#CCN(C)C(=O)C(=O)c1cn(C)c2cc(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CCN(CCOC)C(=O)C(=O)c1cn(C)c2cc(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.COCCNC(=O)C(=O)c1cn(C)c2cc(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CON(C)C(=O)C(=O)c1cn(C)c2cc(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.Cc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCCCC1)cn2C |
| InChI | InChI=1S/C30H36FN3O4.C30H34FN3O3.C29H30FN3O3.C28H32FN3O4.C27H30FN3O4.5CH4/c1-5-33(14-15-38-4)30(37)28(35)26-19-32(3)27-16-20(2)24(18-25(26)27)29(36)34-12-10-22(11-13-34)17-21-6-8-23(31)9-7-21;1-20-16-27-25(26(19-32(27)2)28(35)30(37)33-12-4-3-5-13-33)18-24(20)29(36)34-14-10-22(11-15-34)17-21-6-8-23(31)9-7-21;1-5-12-31(3)29(36)27(34)25-18-32(4)26-15-19(2)23(17-24(25)26)28(35)33-13-10-21(11-14-33)16-20-6-8-22(30)9-7-20;1-18-14-25-23(24(17-31(25)2)26(33)27(34)30-10-13-36-3)16-22(18)28(35)32-11-8-20(9-12-32)15-19-4-6-21(29)7-5-19;1-17-13-24-22(23(16-29(24)2)25(32)27(34)30(3)35-4)15-21(17)26(33)31-11-9-19(10-12-31)14-18-5-7-20(28)8-6-18;;;;;/h6-9,16,18-19,22H,5,10-15,17H2,1-4H3;6-9,16,18-19,22H,3-5,10-15,17H2,1-2H3;1,6-9,15,17-18,21H,10-14,16H2,2-4H3;4-7,14,16-17,20H,8-13,15H2,1-3H3,(H,30,34);5-8,13,15-16,19H,9-12,14H2,1-4H3;5*1H4 |
| InChIKey | JJCBYJUETNZTDH-UHFFFAOYSA-N |
| XLogP | 24.08 |
| TPSA | 349.58 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 187 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2566.17 |
| LogP ≤ 5 | 24.08 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 23 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 158931298 — identifiers, structure, computed properties (public domain)
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