[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate

C109H111Cl8F12N7O10 — CID 162159372

About [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate (PubChem CID 162159372) has the molecular formula C109H111Cl8F12N7O10 and a molecular weight of 2190.73 g/mol. Its IUPAC name is [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate
• PubChem CID: 162159372
• Molecular Formula: C109H111Cl8F12N7O10
• Molecular Weight: 2190.73 g/mol
• Exact Mass: 2185.57
• IUPAC Name: [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate
• SMILES: CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C.COC(=O)C1CCC(CC(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C)CC3)c1Cl)n2C
• InChI: InChI=1S/2C28H29Cl2F3N2O3.C28H28Cl2F3NO3.C25H25Cl2F3N2O/c2*1-5-38-27(37)19-8-9-35(14-16(19)3)26(36)20-6-7-23(29)22(25(20)30)13-18-12-21-15(2)10-17(28(31,32)33)11-24(21)34(18)4;1-15-10-18(28(31,32)33)12-24-21(15)13-19(34(24)2)14-22-23(29)9-8-20(26(22)30)25(35)11-16-4-6-17(7-5-16)27(36)37-3;1-14-6-8-32(9-7-14)24(33)18-4-5-21(26)20(23(18)27)13-17-12-19-15(2)10-16(25(28,29)30)11-22(19)31(17)3/h2*6-7,10-12,16,19H,5,8-9,13-14H2,1-4H3;8-10,12-13,16-17H,4-7,11,14H2,1-3H3;4-5,10-12,14H,6-9,13H2,1-3H3/t2*16-,19-;;/m10../s1
• InChIKey: ZMGQBKQVOZLKKV-DMCDPIATSA-N
• XLogP: 29.36
• TPSA: 176.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.73
LogP ≤ 5	29.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate?

The IUPAC name of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate (CID 162159372) is [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate.

What is the SMILES notation for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate?

The canonical SMILES for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate is CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C.COC(=O)C1CCC(CC(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C)CC3)c1Cl)n2C.

What is the InChIKey of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate?

The InChIKey is ZMGQBKQVOZLKKV-DMCDPIATSA-N. The full InChI is InChI=1S/2C28H29Cl2F3N2O3.C28H28Cl2F3NO3.C25H25Cl2F3N2O/c2*1-5-38-27(37)19-8-9-35(14-16(19)3)26(36)20-6-7-23(29)22(25(20)30)13-18-12-21-15(2)10-17(28(31,32)33)11-24(21)34(18)4;1-15-10-18(28(31,32)33)12-24-21(15)13-19(34(24)2)14-22-23(29)9-8-20(26(22)30)25(35)11-16-4-6-17(7-5-16)27(36)37-3;1-14-6-8-32(9-7-14)24(33)18-4-5-21(26)20(23(18)27)13-17-12-19-15(2)10-16(25(28,29)30)11-22(19)31(17)3/h2*6-7,10-12,16,19H,5,8-9,13-14H2,1-4H3;8-10,12-13,16-17H,4-7,11,14H2,1-3H3;4-5,10-12,14H,6-9,13H2,1-3H3/t2*16-,19-;;/m10../s1.

What are the key properties of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate?

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate has a molecular weight of 2190.73 g/mol, XLogP of 29.36, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl (3R,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 4-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-2-oxoethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 162159372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).