2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide

C27H32F4N2O4 — CID 139208322

IUPAC2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C27H32F4N2O4/c1-4-37-23-12-24(35)32-14-20(23)16-5-6-17(22(28)9-16)10-25(36)33-19-8-7-18(13-26(2,3)15-34)21(11-19)27(29,30)31/h5-9,11,20,23,34H,4,10,12-15H2,1-3H3,(H,32,35)(H,33,36)
InChIKeyAOMQLCFCQXBEKT-UHFFFAOYSA-N
MW524.56 g/mol
LogP4.60
Rot. Bonds9

About 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide

2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 139208322) has the molecular formula C27H32F4N2O4 and a molecular weight of 524.56 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID139208322
Molecular FormulaC27H32F4N2O4
Molecular Weight524.56 g/mol
Exact Mass524.23
IUPAC Name2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C27H32F4N2O4/c1-4-37-23-12-24(35)32-14-20(23)16-5-6-17(22(28)9-16)10-25(36)33-19-8-7-18(13-26(2,3)15-34)21(11-19)27(29,30)31/h5-9,11,20,23,34H,4,10,12-15H2,1-3H3,(H,32,35)(H,33,36)
InChIKeyAOMQLCFCQXBEKT-UHFFFAOYSA-N
XLogP4.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.56
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide 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 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide (CID 139208322) is 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide is CCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AOMQLCFCQXBEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4N2O4/c1-4-37-23-12-24(35)32-14-20(23)16-5-6-17(22(28)9-16)10-25(36)33-19-8-7-18(13-26(2,3)15-34)21(11-19)27(29,30)31/h5-9,11,20,23,34H,4,10,12-15H2,1-3H3,(H,32,35)(H,33,36).
What are the key properties of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 524.56 g/mol, XLogP of 4.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139208322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).