1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

C102H99Cl8F12N11O8 — CID 158366068

About 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 158366068) has the molecular formula C102H99Cl8F12N11O8 and a molecular weight of 2118.58 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
• PubChem CID: 158366068
• Molecular Formula: C102H99Cl8F12N11O8
• Molecular Weight: 2118.58 g/mol
• Exact Mass: 2113.50
• IUPAC Name: 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
• SMILES: CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3cc(C)c4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3cc(C)c4cc(C(F)(F)F)nc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(Cn3cc(C)c4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCCCC3)c2Cl)c2c(C)nc(C(F)(F)F)cc12
• InChI: InChI=1S/C27H25Cl2F3N2O3.2C26H26Cl2F3N3O2.C23H22Cl2F3N3O/c1-14-10-18(27(30,31)32)12-20-15(2)13-34(24(14)20)26(37)22-21(28)5-4-19(23(22)29)25(36)33-8-6-17(7-9-33)11-16(3)35;1-14-8-18(26(29,30)31)10-19-15(2)12-34(23(14)19)13-21-22(27)20(11-32-24(21)28)25(36)33-6-4-17(5-7-33)9-16(3)35;1-14-12-34(24-16(3)32-22(11-19(14)24)26(29,30)31)13-20-21(27)5-4-18(23(20)28)25(36)33-8-6-17(7-9-33)10-15(2)35;1-13-11-31(21-14(2)29-19(10-16(13)21)23(26,27)28)12-17-18(24)7-6-15(20(17)25)22(32)30-8-4-3-5-9-30/h4-5,10,12-13,17H,6-9,11H2,1-3H3;8,10-12,17H,4-7,9,13H2,1-3H3;4-5,11-12,17H,6-10,13H2,1-3H3;6-7,10-11H,3-5,8-9,12H2,1-2H3
• InChIKey: GUAWCRXZBZDNEB-UHFFFAOYSA-N
• XLogP: 27.47
• TPSA: 207.91 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2118.58
LogP ≤ 5	27.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?

The IUPAC name of 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (CID 158366068) is 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.

What is the SMILES notation for 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?

The canonical SMILES for 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)n3cc(C)c4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3cc(C)c4cc(C(F)(F)F)nc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2cnc(Cl)c(Cn3cc(C)c4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCCCC3)c2Cl)c2c(C)nc(C(F)(F)F)cc12.

What is the InChIKey of 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?

The InChIKey is GUAWCRXZBZDNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2F3N2O3.2C26H26Cl2F3N3O2.C23H22Cl2F3N3O/c1-14-10-18(27(30,31)32)12-20-15(2)13-34(24(14)20)26(37)22-21(28)5-4-19(23(22)29)25(36)33-8-6-17(7-9-33)11-16(3)35;1-14-8-18(26(29,30)31)10-19-15(2)12-34(23(14)19)13-21-22(27)20(11-32-24(21)28)25(36)33-6-4-17(5-7-33)9-16(3)35;1-14-12-34(24-16(3)32-22(11-19(14)24)26(29,30)31)13-20-21(27)5-4-18(23(20)28)25(36)33-8-6-17(7-9-33)10-15(2)35;1-13-11-31(21-14(2)29-19(10-16(13)21)23(26,27)28)12-17-18(24)7-6-15(20(17)25)22(32)30-8-4-3-5-9-30/h4-5,10,12-13,17H,6-9,11H2,1-3H3;8,10-12,17H,4-7,9,13H2,1-3H3;4-5,11-12,17H,6-10,13H2,1-3H3;6-7,10-11H,3-5,8-9,12H2,1-2H3.

What are the key properties of 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?

1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 2118.58 g/mol, XLogP of 27.47, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158366068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).