(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

C16H15F3N4O — CID 13298543

IUPAC(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-4-2-1-3-12(13)15(24)23-9-7-22(8-10-23)14-11-20-5-6-21-14/h1-6,11H,7-10H2
InChIKeyLOJDUBXAYZIRLQ-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.46
Rot. Bonds2

About (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 13298543) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID13298543
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-4-2-1-3-12(13)15(24)23-9-7-22(8-10-23)14-11-20-5-6-21-14/h1-6,11H,7-10H2
InChIKeyLOJDUBXAYZIRLQ-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 30774042
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 87235834
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 56814513
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 5102783
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999

Frequently Asked Questions

What is the IUPAC name of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 13298543) is (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is LOJDUBXAYZIRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)13-4-2-1-3-12(13)15(24)23-9-7-22(8-10-23)14-11-20-5-6-21-14/h1-6,11H,7-10H2.
What are the key properties of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 336.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 13298543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).