1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one

C14H19F3N4O — CID 90651726

IUPAC1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one
SMILESCc1cnc(C)c(N2CCN(C(=O)CCC(F)(F)F)CC2)n1
InChIInChI=1S/C14H19F3N4O/c1-10-9-18-11(2)13(19-10)21-7-5-20(6-8-21)12(22)3-4-14(15,16)17/h9H,3-8H2,1-2H3
InChIKeyQRJJRNWLMSQJGE-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.08
Rot. Bonds3

About 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one

1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 90651726) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one
PubChem CID90651726
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one
SMILESCc1cnc(C)c(N2CCN(C(=O)CCC(F)(F)F)CC2)n1
InChIInChI=1S/C14H19F3N4O/c1-10-9-18-11(2)13(19-10)21-7-5-20(6-8-21)12(22)3-4-14(15,16)17/h9H,3-8H2,1-2H3
InChIKeyQRJJRNWLMSQJGE-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one with MolForge

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Related Compounds

1-[3-[(3,6-Dimethylpyrazin-2-yl)amino]propyl]pyrrolidin-2-one
CID 132355363
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 11165470
4-[2-(5-Trifluoromethylpyrazinyl)]-1-piperazinecarboxylic acid tert-butyl ester
CID 53485512
2,2-Difluoro-N-(3,6-dimethylpyrazin-2-yl)acetamide
CID 57518299
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 57843641
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68816636
(4-Propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 68817107
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68817543
(3-Methyl-4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 69145456
2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine
CID 70812423
2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine
CID 70812915
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidin-3-one
CID 71226134

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one (CID 90651726) is 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one is Cc1cnc(C)c(N2CCN(C(=O)CCC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is QRJJRNWLMSQJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-10-9-18-11(2)13(19-10)21-7-5-20(6-8-21)12(22)3-4-14(15,16)17/h9H,3-8H2,1-2H3.
What are the key properties of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one?
1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 316.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 90651726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).