2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide

C25H24F4N4O4 — CID 139208347

IUPAC2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3cc(-c4nnc(C)o4)cc(C(F)(F)F)c3)c(F)c2)CNC1=O
InChIInChI=1S/C25H24F4N4O4/c1-3-36-21-9-17(12-30-23(21)35)14-4-5-15(20(26)8-14)10-22(34)31-19-7-16(24-33-32-13(2)37-24)6-18(11-19)25(27,28)29/h4-8,11,17,21H,3,9-10,12H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyQQYRZGMVIHLLFD-UHFFFAOYSA-N
MW520.48 g/mol
LogP4.39
Rot. Bonds7

About 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide

2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 139208347) has the molecular formula C25H24F4N4O4 and a molecular weight of 520.48 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID139208347
Molecular FormulaC25H24F4N4O4
Molecular Weight520.48 g/mol
Exact Mass520.17
IUPAC Name2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3cc(-c4nnc(C)o4)cc(C(F)(F)F)c3)c(F)c2)CNC1=O
InChIInChI=1S/C25H24F4N4O4/c1-3-36-21-9-17(12-30-23(21)35)14-4-5-15(20(26)8-14)10-22(34)31-19-7-16(24-33-32-13(2)37-24)6-18(11-19)25(27,28)29/h4-8,11,17,21H,3,9-10,12H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyQQYRZGMVIHLLFD-UHFFFAOYSA-N
XLogP4.39
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
CID 78427023
CID 78427023
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide
CID 90681043
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide
CID 90681045
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide
CID 90681051
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 90461154
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperidin-1-ylpentanamide
CID 90681044
1-[4-Fluoro-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 46388024
N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11546424
N-[[(5S)-3-[3,5-difluoro-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11575523
N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11633703
1-[3-(5-Ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393365

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 139208347) is 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide is CCOC1CC(c2ccc(CC(=O)Nc3cc(-c4nnc(C)o4)cc(C(F)(F)F)c3)c(F)c2)CNC1=O.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QQYRZGMVIHLLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O4/c1-3-36-21-9-17(12-30-23(21)35)14-4-5-15(20(26)8-14)10-22(34)31-19-7-16(24-33-32-13(2)37-24)6-18(11-19)25(27,28)29/h4-8,11,17,21H,3,9-10,12H2,1-2H3,(H,30,35)(H,31,34).
What are the key properties of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide?
2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 520.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139208347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).