1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone

C105H105Cl8F12N11O10 — CID 162013648

About 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone

1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone (PubChem CID 162013648) has the molecular formula C105H105Cl8F12N11O10 and a molecular weight of 2192.66 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone
• PubChem CID: 162013648
• Molecular Formula: C105H105Cl8F12N11O10
• Molecular Weight: 2192.66 g/mol
• Exact Mass: 2187.54
• IUPAC Name: 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone
• SMILES: C=C(O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)CC1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(OC(F)(F)F)cc(C)c34)c2Cl)CC1C.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cn(C)c4cc(OC(F)(F)F)cc(C)c34)c2Cl)CC1
• InChI: InChI=1S/C27H27Cl2F3N2O3.C26H26Cl2F3N3O3.2C26H26Cl2F3N3O2/c1-14-9-18(37-27(30,31)32)11-23-24(14)17(13-33(23)4)10-21-22(28)6-5-20(25(21)29)26(36)34-8-7-19(16(3)35)15(2)12-34;1-14-8-18(37-26(29,30)31)11-21-22(14)17(13-33(21)3)10-19-20(27)12-32-24(23(19)28)25(36)34-6-4-16(5-7-34)9-15(2)35;1-14-8-18(26(29,30)31)11-21-22(14)17(13-33(21)3)10-19-23(27)20(12-32-24(19)28)25(36)34-6-4-16(5-7-34)9-15(2)35;1-14-8-18(26(29,30)31)11-21-22(14)17(13-33(21)3)10-19-20(27)12-32-24(23(19)28)25(36)34-6-4-16(5-7-34)9-15(2)35/h5-6,9,11,13,15,19H,7-8,10,12H2,1-4H3;8,11-13,16H,4-7,9-10H2,1-3H3;8,11-13,16H,4-7,9-10H2,1-3H3;8,11-13,16,35H,2,4-7,9-10H2,1,3H3
• InChIKey: YTUTUPBBEDZRDN-UHFFFAOYSA-N
• XLogP: 27.22
• TPSA: 229.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.66
LogP ≤ 5	27.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone?

The IUPAC name of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone (CID 162013648) is 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone.

What is the SMILES notation for 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone?

The canonical SMILES for 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone is C=C(O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)CC1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(OC(F)(F)F)cc(C)c34)c2Cl)CC1C.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cn(C)c4cc(OC(F)(F)F)cc(C)c34)c2Cl)CC1.

What is the InChIKey of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone?

The InChIKey is YTUTUPBBEDZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2F3N2O3.C26H26Cl2F3N3O3.2C26H26Cl2F3N3O2/c1-14-9-18(37-27(30,31)32)11-23-24(14)17(13-33(23)4)10-21-22(28)6-5-20(25(21)29)26(36)34-8-7-19(16(3)35)15(2)12-34;1-14-8-18(37-26(29,30)31)11-21-22(14)17(13-33(21)3)10-19-20(27)12-32-24(23(19)28)25(36)34-6-4-16(5-7-34)9-15(2)35;1-14-8-18(26(29,30)31)11-21-22(14)17(13-33(21)3)10-19-23(27)20(12-32-24(19)28)25(36)34-6-4-16(5-7-34)9-15(2)35;1-14-8-18(26(29,30)31)11-21-22(14)17(13-33(21)3)10-19-20(27)12-32-24(23(19)28)25(36)34-6-4-16(5-7-34)9-15(2)35/h5-6,9,11,13,15,19H,7-8,10,12H2,1-4H3;8,11-13,16H,4-7,9-10H2,1-3H3;8,11-13,16H,4-7,9-10H2,1-3H3;8,11-13,16,35H,2,4-7,9-10H2,1,3H3.

What are the key properties of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone?

1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone has a molecular weight of 2192.66 g/mol, XLogP of 27.22, 21 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[3,5-dichloro-4-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]-2-pyridinyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone is sourced from PubChem (CID 162013648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).