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

C15H20F3N2O+ — CID 8583312

IUPAC2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-11-4-2-3-9-20(11)10-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/p+1/t11-/m1/s1
InChIKeyBDROAGWGPAMHAE-LLVKDONJSA-O
MW301.33 g/mol
LogP2.10
Rot. Bonds3

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

2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 8583312) has the molecular formula C15H20F3N2O+ and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID8583312
Molecular FormulaC15H20F3N2O+
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-11-4-2-3-9-20(11)10-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/p+1/t11-/m1/s1
InChIKeyBDROAGWGPAMHAE-LLVKDONJSA-O
XLogP2.10
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2482970
N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2698019
N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8583444
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697951
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8896609
2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
CID 8583080
N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583450
2-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60647058
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9131113
N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8623367
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2697959

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 8583312) is 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BDROAGWGPAMHAE-LLVKDONJSA-O. The full InChI is InChI=1S/C15H19F3N2O/c1-11-4-2-3-9-20(11)10-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/p+1/t11-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 301.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8583312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).