6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one

C41H44F6N4O8 — CID 157476168

IUPAC6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
SMILESCOc1cccc(OC)c1C1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1.COc1cccc(OC)c1C1CNCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O4.C20H21F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24;1-27-16-4-3-5-17(28-2)19(16)15-10-24-11-18(26)25(15)12-13-6-8-14(9-7-13)29-20(21,22)23/h4-10,16H,11-13H2,1-3H3;3-9,15,24H,10-12H2,1-2H3
InChIKeyBVPQSXJYBOBHNN-UHFFFAOYSA-N
MW834.81 g/mol
LogP6.89
Rot. Bonds12

About 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one

6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one (PubChem CID 157476168) has the molecular formula C41H44F6N4O8 and a molecular weight of 834.81 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
PubChem CID157476168
Molecular FormulaC41H44F6N4O8
Molecular Weight834.81 g/mol
Exact Mass834.31
IUPAC Name6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
SMILESCOc1cccc(OC)c1C1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1.COc1cccc(OC)c1C1CNCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O4.C20H21F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24;1-27-16-4-3-5-17(28-2)19(16)15-10-24-11-18(26)25(15)12-13-6-8-14(9-7-13)29-20(21,22)23/h4-10,16H,11-13H2,1-3H3;3-9,15,24H,10-12H2,1-2H3
InChIKeyBVPQSXJYBOBHNN-UHFFFAOYSA-N
XLogP6.89
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.81
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one with MolForge

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4882752
6-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)-piperazin-2-one
CID 69082599
6-(2,6-Dimethoxyphenyl)-4-methyl-1-(4-(trifluoromethoxy)benzyl)piperazin-2-one
CID 69084057
(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 397362
US9850225, Example 1061
CID 118434603
US9850225, Example 1080
CID 118434625
US9850225, Example 1085
CID 118434665
US9850225, Example 1081
CID 118434959
US9850225, Example 1087
CID 118435191
US9850225, Example 1088
CID 118435206
2-[1-(2,4-dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 45172930
2-[1-(2,4-dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 45188851

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one (CID 157476168) is 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one is COc1cccc(OC)c1C1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1.COc1cccc(OC)c1C1CNCC(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The InChIKey is BVPQSXJYBOBHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4.C20H21F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24;1-27-16-4-3-5-17(28-2)19(16)15-10-24-11-18(26)25(15)12-13-6-8-14(9-7-13)29-20(21,22)23/h4-10,16H,11-13H2,1-3H3;3-9,15,24H,10-12H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one has a molecular weight of 834.81 g/mol, XLogP of 6.89, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one;6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 157476168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).