ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate

C105H101Cl8F13N8O13 — CID 158491472

About ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate

ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate (PubChem CID 158491472) has the molecular formula C105H101Cl8F13N8O13 and a molecular weight of 2213.60 g/mol. Its IUPAC name is ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate
• PubChem CID: 158491472
• Molecular Formula: C105H101Cl8F13N8O13
• Molecular Weight: 2213.60 g/mol
• Exact Mass: 2208.48
• IUPAC Name: ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate
• SMILES: CCOC(=O)C1(F)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.COC(=O)C1(C)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.COC(=O)C1(OC)CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.COC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1
• InChI: InChI=1S/C27H26Cl2F4N2O3.C27H27Cl2F3N2O3.C26H25Cl2F3N2O3.C25H23Cl2F3N2O4/c1-4-38-25(37)26(30)7-9-35(10-8-26)24(36)18-5-6-21(28)20(23(18)29)14-17-13-19-15(2)11-16(27(31,32)33)12-22(19)34(17)3;1-15-11-16(27(30,31)32)12-22-19(15)13-17(33(22)3)14-20-21(28)6-5-18(23(20)29)24(35)34-9-7-26(2,8-10-34)25(36)37-4;1-14-9-16(26(29,30)31)10-22-19(14)11-17(32(22)2)12-20-21(27)7-6-18(23(20)28)24(34)33-8-4-5-15(13-33)25(35)36-3;1-13-7-14(25(28,29)30)8-20-17(13)9-15(31(20)2)10-18-19(26)6-5-16(21(18)27)22(33)32-11-24(12-32,36-4)23(34)35-3/h5-6,11-13H,4,7-10,14H2,1-3H3;5-6,11-13H,7-10,14H2,1-4H3;6-7,9-11,15H,4-5,8,12-13H2,1-3H3;5-9H,10-12H2,1-4H3
• InChIKey: HITBHKSJBBCXJB-UHFFFAOYSA-N
• XLogP: 25.57
• TPSA: 215.39 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.60
LogP ≤ 5	25.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate?

The IUPAC name of ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate (CID 158491472) is ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate.

What is the SMILES notation for ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate?

The canonical SMILES for ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate is CCOC(=O)C1(F)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.COC(=O)C1(C)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.COC(=O)C1(OC)CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.COC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.

What is the InChIKey of ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate?

The InChIKey is HITBHKSJBBCXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2F4N2O3.C27H27Cl2F3N2O3.C26H25Cl2F3N2O3.C25H23Cl2F3N2O4/c1-4-38-25(37)26(30)7-9-35(10-8-26)24(36)18-5-6-21(28)20(23(18)29)14-17-13-19-15(2)11-16(27(31,32)33)12-22(19)34(17)3;1-15-11-16(27(30,31)32)12-22-19(15)13-17(33(22)3)14-20-21(28)6-5-18(23(20)29)24(35)34-9-7-26(2,8-10-34)25(36)37-4;1-14-9-16(26(29,30)31)10-22-19(14)11-17(32(22)2)12-20-21(27)7-6-18(23(20)28)24(34)33-8-4-5-15(13-33)25(35)36-3;1-13-7-14(25(28,29)30)8-20-17(13)9-15(31(20)2)10-18-19(26)6-5-16(21(18)27)22(33)32-11-24(12-32,36-4)23(34)35-3/h5-6,11-13H,4,7-10,14H2,1-3H3;5-6,11-13H,7-10,14H2,1-4H3;6-7,9-11,15H,4-5,8,12-13H2,1-3H3;5-9H,10-12H2,1-4H3.

What are the key properties of ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate?

ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate has a molecular weight of 2213.60 g/mol, XLogP of 25.57, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 158491472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).