2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide

C15H20Cl3N2O+ — CID 8930404

IUPAC2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl3N2O/c1-9-3-10(2)7-20(6-9)8-14(21)19-15-12(17)4-11(16)5-13(15)18/h4-5,9-10H,3,6-8H2,1-2H3,(H,19,21)/p+1/t9-,10-/m1/s1
InChIKeyFXMDTQPEFSNWBM-NXEZZACHSA-O
MW350.70 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide

2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 8930404) has the molecular formula C15H20Cl3N2O+ and a molecular weight of 350.70 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID8930404
Molecular FormulaC15H20Cl3N2O+
Molecular Weight350.70 g/mol
Exact Mass349.06
IUPAC Name2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl3N2O/c1-9-3-10(2)7-20(6-9)8-14(21)19-15-12(17)4-11(16)5-13(15)18/h4-5,9-10H,3,6-8H2,1-2H3,(H,19,21)/p+1/t9-,10-/m1/s1
InChIKeyFXMDTQPEFSNWBM-NXEZZACHSA-O
XLogP3.15
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.70
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930472
methyl 1-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperidin-1-ium-4-carboxylate
CID 8001387
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8931075
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2697959
N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930223
2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 8904622
N-(2,6-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929985
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-iodophenyl)acetamide
CID 8930854
N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930273
N-(3-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930165
N-[4-(difluoromethoxy)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930997
N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 7406184

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide (CID 8930404) is 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide is C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is FXMDTQPEFSNWBM-NXEZZACHSA-O. The full InChI is InChI=1S/C15H19Cl3N2O/c1-9-3-10(2)7-20(6-9)8-14(21)19-15-12(17)4-11(16)5-13(15)18/h4-5,9-10H,3,6-8H2,1-2H3,(H,19,21)/p+1/t9-,10-/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 350.70 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 8930404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).