4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C105H100Cl8F12N8O11 — CID 160979590

About 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 160979590) has the molecular formula C105H100Cl8F12N8O11 and a molecular weight of 2161.60 g/mol. Its IUPAC name is 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

• Compound Name: 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• PubChem CID: 160979590
• Molecular Formula: C105H100Cl8F12N8O11
• Molecular Weight: 2161.60 g/mol
• Exact Mass: 2156.48
• IUPAC Name: 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• SMILES: C=C(O)CC1CC2(C1)CN(C(=O)c1ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)cc(C)c43)c1Cl)C2.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4c(C(F)(F)F)cccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CCC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)cc(C)c43)c2Cl)CC1
• InChI: InChI=1S/C27H25Cl2F3N2O3.C27H27Cl2F3N2O3.C26H25Cl2F3N2O3.C25H23Cl2F3N2O2/c1-15-7-19(37-27(30,31)32)9-18-5-6-33(24(15)18)12-21-22(28)4-3-20(23(21)29)25(36)34-13-26(14-34)10-17(11-26)8-16(2)35;1-16-13-20(37-27(30,31)32)14-19-9-12-34(25(16)19)15-22-23(28)6-5-21(24(22)29)26(36)33-10-7-18(8-11-33)4-3-17(2)35;1-15-11-19(36-26(29,30)31)13-18-7-10-33(24(15)18)14-21-22(27)4-3-20(23(21)28)25(35)32-8-5-17(6-9-32)12-16(2)34;1-15(33)13-16-7-10-31(11-8-16)24(34)18-5-6-21(26)19(23(18)27)14-32-12-9-17-20(25(28,29)30)3-2-4-22(17)32/h3-7,9,17,35H,2,8,10-14H2,1H3;5-6,9,12-14,18H,3-4,7-8,10-11,15H2,1-2H3;3-4,7,10-11,13,17H,5-6,8-9,12,14H2,1-2H3;2-6,9,12,16H,7-8,10-11,13-14H2,1H3
• InChIKey: SZIIRXHPVJSJAK-UHFFFAOYSA-N
• XLogP: 28.82
• TPSA: 200.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.60
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The IUPAC name of 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 160979590) is 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

What is the SMILES notation for 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The canonical SMILES for 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is C=C(O)CC1CC2(C1)CN(C(=O)c1ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)cc(C)c43)c1Cl)C2.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4c(C(F)(F)F)cccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CCC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)cc(C)c43)c2Cl)CC1.

What is the InChIKey of 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The InChIKey is SZIIRXHPVJSJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2F3N2O3.C27H27Cl2F3N2O3.C26H25Cl2F3N2O3.C25H23Cl2F3N2O2/c1-15-7-19(37-27(30,31)32)9-18-5-6-33(24(15)18)12-21-22(28)4-3-20(23(21)29)25(36)34-13-26(14-34)10-17(11-26)8-16(2)35;1-16-13-20(37-27(30,31)32)14-19-9-12-34(25(16)19)15-22-23(28)6-5-21(24(22)29)26(36)33-10-7-18(8-11-33)4-3-17(2)35;1-15-11-19(36-26(29,30)31)13-18-7-10-33(24(15)18)14-21-22(27)4-3-20(23(21)28)25(35)32-8-5-17(6-9-32)12-16(2)34;1-15(33)13-16-7-10-31(11-8-16)24(34)18-5-6-21(26)19(23(18)27)14-32-12-9-17-20(25(28,29)30)3-2-4-22(17)32/h3-7,9,17,35H,2,8,10-14H2,1H3;5-6,9,12-14,18H,3-4,7-8,10-11,15H2,1-2H3;3-4,7,10-11,13,17H,5-6,8-9,12,14H2,1-2H3;2-6,9,12,16H,7-8,10-11,13-14H2,1H3.

What are the key properties of 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 2161.60 g/mol, XLogP of 28.82, 24 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 160979590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).