6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one

C22H24F3NO4 — CID 69080992

IUPAC6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
SMILESCCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H24F3NO4/c1-3-29-19-8-5-7-18(28-2)21(19)17-6-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3
InChIKeyIXHUYDMFYJGNQN-UHFFFAOYSA-N
MW423.43 g/mol
LogP5.25
Rot. Bonds7

About 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one

6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one (PubChem CID 69080992) has the molecular formula C22H24F3NO4 and a molecular weight of 423.43 g/mol. Its IUPAC name is 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
PubChem CID69080992
Molecular FormulaC22H24F3NO4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Name6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
SMILESCCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H24F3NO4/c1-3-29-19-8-5-7-18(28-2)21(19)17-6-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3
InChIKeyIXHUYDMFYJGNQN-UHFFFAOYSA-N
XLogP5.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one (CID 69080992) is 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one is CCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one?
The InChIKey is IXHUYDMFYJGNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO4/c1-3-29-19-8-5-7-18(28-2)21(19)17-6-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3.
What are the key properties of 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one?
6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one has a molecular weight of 423.43 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69080992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).