4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide

C14H20F3N5O2 — CID 138026062

IUPAC4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide
SMILESCOCC(C)(NC(=O)N1CCN(c2cnccn2)CC1)C(F)(F)F
InChIInChI=1S/C14H20F3N5O2/c1-13(10-24-2,14(15,16)17)20-12(23)22-7-5-21(6-8-22)11-9-18-3-4-19-11/h3-4,9H,5-8,10H2,1-2H3,(H,20,23)
InChIKeyKJEXFFYMNBUFAX-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.28
Rot. Bonds4

About 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide

4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide (PubChem CID 138026062) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide
PubChem CID138026062
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC Name4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide
SMILESCOCC(C)(NC(=O)N1CCN(c2cnccn2)CC1)C(F)(F)F
InChIInChI=1S/C14H20F3N5O2/c1-13(10-24-2,14(15,16)17)20-12(23)22-7-5-21(6-8-22)11-9-18-3-4-19-11/h3-4,9H,5-8,10H2,1-2H3,(H,20,23)
InChIKeyKJEXFFYMNBUFAX-UHFFFAOYSA-N
XLogP1.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-(4-pyrazin-2-ylpiperazin-1-yl)octan-1-one
CID 13298553
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 5102783
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
N-[(2R)-2-(dimethylamino)propyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 95133647
4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 136576917
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 126442690
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 106112141
N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide (CID 138026062) is 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide is COCC(C)(NC(=O)N1CCN(c2cnccn2)CC1)C(F)(F)F.
What is the InChIKey of 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide?
The InChIKey is KJEXFFYMNBUFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-13(10-24-2,14(15,16)17)20-12(23)22-7-5-21(6-8-22)11-9-18-3-4-19-11/h3-4,9H,5-8,10H2,1-2H3,(H,20,23).
What are the key properties of 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide?
4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 138026062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).