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

C14H20F3N3O+2 — CID 8896609

IUPAC2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESC[NH+]1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3N3O/c1-19-6-8-20(9-7-19)10-13(21)18-12-4-2-11(3-5-12)14(15,16)17/h2-5H,6-10H2,1H3,(H,18,21)/p+2
InChIKeyKAVNNAJQECZJJT-UHFFFAOYSA-P
MW303.33 g/mol
LogP-0.94
Rot. Bonds3

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

2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 8896609) has the molecular formula C14H20F3N3O+2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID8896609
Molecular FormulaC14H20F3N3O+2
Molecular Weight303.33 g/mol
Exact Mass303.15
IUPAC Name2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESC[NH+]1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3N3O/c1-19-6-8-20(9-7-19)10-13(21)18-12-4-2-11(3-5-12)14(15,16)17/h2-5H,6-10H2,1H3,(H,18,21)/p+2
InChIKeyKAVNNAJQECZJJT-UHFFFAOYSA-P
XLogP-0.94
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9131113
2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8904321
N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896631
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8583312
2-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8895949
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 6971322
2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 8904245
N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 6987327
2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719175
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8742170
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 8896609) is 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is C[NH+]1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KAVNNAJQECZJJT-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H18F3N3O/c1-19-6-8-20(9-7-19)10-13(21)18-12-4-2-11(3-5-12)14(15,16)17/h2-5H,6-10H2,1H3,(H,18,21)/p+2.
What are the key properties of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 303.33 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8896609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).