2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide

C13H18F3N3O+2 — CID 2576082

IUPAC2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[NH+]1CC[NH2+]CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-3-1-2-4-11(10)18-12(20)9-19-7-5-17-6-8-19/h1-4,17H,5-9H2,(H,18,20)/p+2
InChIKeyLAPHONMHLQUVPN-UHFFFAOYSA-P
MW289.30 g/mol
LogP-0.89
Rot. Bonds3

About 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide

2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2576082) has the molecular formula C13H18F3N3O+2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2576082
Molecular FormulaC13H18F3N3O+2
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[NH+]1CC[NH2+]CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-3-1-2-4-11(10)18-12(20)9-19-7-5-17-6-8-19/h1-4,17H,5-9H2,(H,18,20)/p+2
InChIKeyLAPHONMHLQUVPN-UHFFFAOYSA-P
XLogP-0.89
TPSA50.15 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429578
2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429538
2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9293170
2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429582
2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9337573
2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429520
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4244464
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429532
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-(2,4-dimethylphenyl)-2-piperazine-1,4-diium-1-ylacetamide
CID 2409066
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
3,3-dimethyl-5-oxo-5-[2-(trifluoromethyl)anilino]pentanoic acid
CID 60699495

Frequently Asked Questions

What is the IUPAC name of 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2576082) is 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(C[NH+]1CC[NH2+]CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LAPHONMHLQUVPN-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-3-1-2-4-11(10)18-12(20)9-19-7-5-17-6-8-19/h1-4,17H,5-9H2,(H,18,20)/p+2.
What are the key properties of 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazine-1,4-diium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2576082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).