2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

C32H32Cl2F3N3O3 — CID 69076815

About 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 69076815) has the molecular formula C32H32Cl2F3N3O3 and a molecular weight of 634.53 g/mol. Its IUPAC name is 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 69076815
• Molecular Formula: C32H32Cl2F3N3O3
• Molecular Weight: 634.53 g/mol
• Exact Mass: 633.18
• IUPAC Name: 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
• SMILES: CN(C)C(=O)Cn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2ccccc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C30H31Cl2N3O.C2HF3O2/c1-33(2)28(36)20-35-27-14-7-6-11-23(27)24(30(35)22-9-4-3-5-10-22)19-34-17-15-21(16-18-34)29-25(31)12-8-13-26(29)32;3-2(4,5)1(6)7/h3-14,21H,15-20H2,1-2H3;(H,6,7)
• InChIKey: HTWZJZXXSVOLNX-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 65.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.53
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 69076815) is 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)Cn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2ccccc21.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?

The InChIKey is HTWZJZXXSVOLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N3O.C2HF3O2/c1-33(2)28(36)20-35-27-14-7-6-11-23(27)24(30(35)22-9-4-3-5-10-22)19-34-17-15-21(16-18-34)29-25(31)12-8-13-26(29)32;3-2(4,5)1(6)7/h3-14,21H,15-20H2,1-2H3;(H,6,7).

What are the key properties of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?

2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 634.53 g/mol, XLogP of 7.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69076815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).