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

C20H21F3N2O4 — CID 69082599

IUPAC6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
SMILESCOc1cccc(OC)c1C1CNCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O4/c1-27-16-4-3-5-17(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/h3-9,15,24H,10-12H2,1-2H3
InChIKeyUNSUTPQITOWXAO-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.28
Rot. Bonds6

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

6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one (PubChem CID 69082599) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
PubChem CID69082599
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
SMILESCOc1cccc(OC)c1C1CNCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O4/c1-27-16-4-3-5-17(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/h3-9,15,24H,10-12H2,1-2H3
InChIKeyUNSUTPQITOWXAO-UHFFFAOYSA-N
XLogP3.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one (CID 69082599) is 6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one is COc1cccc(OC)c1C1CNCC(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The InChIKey is UNSUTPQITOWXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-27-16-4-3-5-17(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/h3-9,15,24H,10-12H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-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 410.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 69082599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).