2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide

C24H27F4N3O3 — CID 139208354

IUPAC2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide
SMILESCCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(C(C)(C)C(F)(F)F)nc2)c(F)c1
InChIInChI=1S/C24H27F4N3O3/c1-4-34-19-11-21(32)30-13-17(19)14-5-6-15(18(25)9-14)10-22(33)31-16-7-8-20(29-12-16)23(2,3)24(26,27)28/h5-9,12,17,19H,4,10-11,13H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyKYPNJUIMCRYNLW-UHFFFAOYSA-N
MW481.49 g/mol
LogP4.25
Rot. Bonds7

About 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide

2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide (PubChem CID 139208354) has the molecular formula C24H27F4N3O3 and a molecular weight of 481.49 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide
PubChem CID139208354
Molecular FormulaC24H27F4N3O3
Molecular Weight481.49 g/mol
Exact Mass481.20
IUPAC Name2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide
SMILESCCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(C(C)(C)C(F)(F)F)nc2)c(F)c1
InChIInChI=1S/C24H27F4N3O3/c1-4-34-19-11-21(32)30-13-17(19)14-5-6-15(18(25)9-14)10-22(33)31-16-7-8-20(29-12-16)23(2,3)24(26,27)28/h5-9,12,17,19H,4,10-11,13H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyKYPNJUIMCRYNLW-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]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-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide (CID 139208354) is 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide is CCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(C(C)(C)C(F)(F)F)nc2)c(F)c1.
What is the InChIKey of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide?
The InChIKey is KYPNJUIMCRYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3O3/c1-4-34-19-11-21(32)30-13-17(19)14-5-6-15(18(25)9-14)10-22(33)31-16-7-8-20(29-12-16)23(2,3)24(26,27)28/h5-9,12,17,19H,4,10-11,13H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide?
2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide has a molecular weight of 481.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 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-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 139208354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).