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

C15H20F3N2O2+ — CID 7266495

IUPAC2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-11-6-8-20(9-7-11)10-14(21)19-12-2-4-13(5-3-12)22-15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)/p+1
InChIKeyJUENIQIGLMTSBG-UHFFFAOYSA-O
MW317.33 g/mol
LogP1.84
Rot. Bonds4

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

2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7266495) has the molecular formula C15H20F3N2O2+ and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7266495
Molecular FormulaC15H20F3N2O2+
Molecular Weight317.33 g/mol
Exact Mass317.15
IUPAC Name2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-11-6-8-20(9-7-11)10-14(21)19-12-2-4-13(5-3-12)22-15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)/p+1
InChIKeyJUENIQIGLMTSBG-UHFFFAOYSA-O
XLogP1.84
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-chloroprop-2-enyl)piperazine-1,4-diium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804728
2-[4-(2-methoxyacetyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020903
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2062138
2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9338914
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
2-[4-(pyridine-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020877
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
2-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7471841
N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543888

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7266495) is 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is CC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is JUENIQIGLMTSBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19F3N2O2/c1-11-6-8-20(9-7-11)10-14(21)19-12-2-4-13(5-3-12)22-15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)/p+1.
What are the key properties of 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 317.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7266495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).