1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one

C111H115Cl8F12N9O8 — CID 158999844

About 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one

1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one (PubChem CID 158999844) has the molecular formula C111H115Cl8F12N9O8 and a molecular weight of 2214.80 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one
• PubChem CID: 158999844
• Molecular Formula: C111H115Cl8F12N9O8
• Molecular Weight: 2214.80 g/mol
• Exact Mass: 2209.62
• IUPAC Name: 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one
• SMILES: CC(=O)C(C)(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1C.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CCC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1
• InChI: InChI=1S/C29H31Cl2F3N2O2.2C28H29Cl2F3N2O2.C26H26Cl2F3N3O2/c1-16-12-19(29(32,33)34)13-25-22(16)14-20(35(25)5)15-23-24(30)7-6-21(26(23)31)27(38)36-10-8-18(9-11-36)28(3,4)17(2)37;1-15-9-19(28(31,32)33)11-25-22(15)12-20(34(25)4)13-23-24(29)6-5-21(26(23)30)27(37)35-8-7-18(10-17(3)36)16(2)14-35;1-16-12-19(28(31,32)33)13-25-22(16)14-20(34(25)3)15-23-24(29)7-6-21(26(23)30)27(37)35-10-8-18(9-11-35)5-4-17(2)36;1-14-8-17(26(29,30)31)10-22-19(14)11-18(33(22)3)12-20-23(27)21(13-32-24(20)28)25(36)34-6-4-16(5-7-34)9-15(2)35/h6-7,12-14,18H,8-11,15H2,1-5H3;5-6,9,11-12,16,18H,7-8,10,13-14H2,1-4H3;6-7,12-14,18H,4-5,8-11,15H2,1-3H3;8,10-11,13,16H,4-7,9,12H2,1-3H3
• InChIKey: JREZWYJZINWZBU-UHFFFAOYSA-N
• XLogP: 29.60
• TPSA: 182.13 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2214.80
LogP ≤ 5	29.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one (CID 158999844) is 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one.

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

The canonical SMILES for 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one is CC(=O)C(C)(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1C.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CCC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.

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

The InChIKey is JREZWYJZINWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2F3N2O2.2C28H29Cl2F3N2O2.C26H26Cl2F3N3O2/c1-16-12-19(29(32,33)34)13-25-22(16)14-20(35(25)5)15-23-24(30)7-6-21(26(23)31)27(38)36-10-8-18(9-11-36)28(3,4)17(2)37;1-15-9-19(28(31,32)33)11-25-22(15)12-20(34(25)4)13-23-24(29)6-5-21(26(23)30)27(37)35-8-7-18(10-17(3)36)16(2)14-35;1-16-12-19(28(31,32)33)13-25-22(16)14-20(34(25)3)15-23-24(29)7-6-21(26(23)30)27(37)35-10-8-18(9-11-35)5-4-17(2)36;1-14-8-17(26(29,30)31)10-22-19(14)11-18(33(22)3)12-20-23(27)21(13-32-24(20)28)25(36)34-6-4-16(5-7-34)9-15(2)35/h6-7,12-14,18H,8-11,15H2,1-5H3;5-6,9,11-12,16,18H,7-8,10,13-14H2,1-4H3;6-7,12-14,18H,4-5,8-11,15H2,1-3H3;8,10-11,13,16H,4-7,9,12H2,1-3H3.

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

1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one has a molecular weight of 2214.80 g/mol, XLogP of 29.60, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 158999844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).