tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate

C16H20F5N3O3 — CID 175468382

IUPACtert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(F)C(c2cn(C(F)C(F)F)c(=O)cn2)C1
InChIInChI=1S/C16H20F5N3O3/c1-15(2,3)27-14(26)23-5-4-16(20,21)9(7-23)10-8-24(11(25)6-22-10)13(19)12(17)18/h6,8-9,12-13H,4-5,7H2,1-3H3
InChIKeyQYVAMDWPPGGPQT-UHFFFAOYSA-N
MW397.34 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate

tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate (PubChem CID 175468382) has the molecular formula C16H20F5N3O3 and a molecular weight of 397.34 g/mol. Its IUPAC name is tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate
PubChem CID175468382
Molecular FormulaC16H20F5N3O3
Molecular Weight397.34 g/mol
Exact Mass397.14
IUPAC Nametert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(F)C(c2cn(C(F)C(F)F)c(=O)cn2)C1
InChIInChI=1S/C16H20F5N3O3/c1-15(2,3)27-14(26)23-5-4-16(20,21)9(7-23)10-8-24(11(25)6-22-10)13(19)12(17)18/h6,8-9,12-13H,4-5,7H2,1-3H3
InChIKeyQYVAMDWPPGGPQT-UHFFFAOYSA-N
XLogP3.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

CID 163238113
CID 163238113
(3R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 97290035
tert-butyl 4-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-4-fluoropiperidine-1-carboxylate
CID 153362059
tert-butyl 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 71240153
tert-butyl 3-(4-nitropyrazol-1-yl)-4-oxopiperidine-1-carboxylate
CID 118288827
tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;ethane
CID 156721962
tert-butyl 3-(1-cyclopropylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate
CID 168887673
tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 170672384
4-[4-[3-[4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propyl]piperidin-1-yl]-6-fluoropyridine-3-carboxylic acid
CID 177321229
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 6-propan-2-yl-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 156622241
tert-butyl 3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 129320024

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate (CID 175468382) is tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(F)C(c2cn(C(F)C(F)F)c(=O)cn2)C1.
What is the InChIKey of tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate?
The InChIKey is QYVAMDWPPGGPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F5N3O3/c1-15(2,3)27-14(26)23-5-4-16(20,21)9(7-23)10-8-24(11(25)6-22-10)13(19)12(17)18/h6,8-9,12-13H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate?
tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate has a molecular weight of 397.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4-difluoro-3-[5-oxo-4-(1,2,2-trifluoroethyl)pyrazin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 175468382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).