2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide

C21H24F4N4O2 — CID 133440300

IUPAC2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide
SMILESCC(C)Cn1ccnc(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)c1=O
InChIInChI=1S/C21H24F4N4O2/c1-13(2)11-29-10-8-26-18(19(29)30)28-9-7-16(14-3-5-15(22)6-4-14)17(12-28)27-20(31)21(23,24)25/h3-6,8,10,13,16-17H,7,9,11-12H2,1-2H3,(H,27,31)
InChIKeyUGAAYKBLWKIAOY-UHFFFAOYSA-N
MW440.44 g/mol
LogP3.08
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide

2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide (PubChem CID 133440300) has the molecular formula C21H24F4N4O2 and a molecular weight of 440.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide
PubChem CID133440300
Molecular FormulaC21H24F4N4O2
Molecular Weight440.44 g/mol
Exact Mass440.18
IUPAC Name2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide
SMILESCC(C)Cn1ccnc(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)c1=O
InChIInChI=1S/C21H24F4N4O2/c1-13(2)11-29-10-8-26-18(19(29)30)28-9-7-16(14-3-5-15(22)6-4-14)17(12-28)27-20(31)21(23,24)25/h3-6,8,10,13,16-17H,7,9,11-12H2,1-2H3,(H,27,31)
InChIKeyUGAAYKBLWKIAOY-UHFFFAOYSA-N
XLogP3.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133440290
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(7H-purin-6-yl)piperidin-3-yl]acetamide
CID 133440250
N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
CID 84597675
N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440232
N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440284
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440214
methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate
CID 115538473
N-[(3S,4S)-1-(2-cyanoethyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 129379016
3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63852836
4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 63721569
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide (CID 133440300) is 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide is CC(C)Cn1ccnc(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)c1=O.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide?
The InChIKey is UGAAYKBLWKIAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N4O2/c1-13(2)11-29-10-8-26-18(19(29)30)28-9-7-16(14-3-5-15(22)6-4-14)17(12-28)27-20(31)21(23,24)25/h3-6,8,10,13,16-17H,7,9,11-12H2,1-2H3,(H,27,31).
What are the key properties of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide?
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide has a molecular weight of 440.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 133440300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).