2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H19F3N5O2+ — CID 9338914

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(C[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)27-14-4-2-13(3-5-14)23-15(26)12-24-8-10-25(11-9-24)16-21-6-1-7-22-16/h1-7H,8-12H2,(H,23,26)/p+1
InChIKeyAKZVFXHXVMUXBD-UHFFFAOYSA-O
MW382.37 g/mol
LogP0.72
Rot. Bonds5

About 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 9338914) has the molecular formula C17H19F3N5O2+ and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID9338914
Molecular FormulaC17H19F3N5O2+
Molecular Weight382.37 g/mol
Exact Mass382.15
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(C[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)27-14-4-2-13(3-5-14)23-15(26)12-24-8-10-25(11-9-24)16-21-6-1-7-22-16/h1-7H,8-12H2,(H,23,26)/p+1
InChIKeyAKZVFXHXVMUXBD-UHFFFAOYSA-O
XLogP0.72
TPSA71.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyridine-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020877
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2062138
N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7436916
2-[4-(2-methoxyacetyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020903
2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7266495
2-[4-(2-chloroprop-2-enyl)piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804728
N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542873
3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7289369
N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8548338
[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998438
N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide
CID 7446364
2-(4-pyridin-2-ylpiperidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 68873568

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 9338914) is 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(C[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AKZVFXHXVMUXBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18F3N5O2/c18-17(19,20)27-14-4-2-13(3-5-14)23-15(26)12-24-8-10-25(11-9-24)16-21-6-1-7-22-16/h1-7H,8-12H2,(H,23,26)/p+1.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 382.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 9338914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).