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

C14H18Cl3N2O+ — CID 2697959

IUPAC2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O/c1-9-4-2-3-5-19(9)8-13(20)18-14-11(16)6-10(15)7-12(14)17/h6-7,9H,2-5,8H2,1H3,(H,18,20)/p+1/t9-/m1/s1
InChIKeyJRUZKYLJJWKTEC-SECBINFHSA-O
MW336.67 g/mol
LogP3.04
Rot. Bonds3

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

2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 2697959) has the molecular formula C14H18Cl3N2O+ and a molecular weight of 336.67 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID2697959
Molecular FormulaC14H18Cl3N2O+
Molecular Weight336.67 g/mol
Exact Mass335.05
IUPAC Name2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O/c1-9-4-2-3-5-19(9)8-13(20)18-14-11(16)6-10(15)7-12(14)17/h6-7,9H,2-5,8H2,1H3,(H,18,20)/p+1/t9-/m1/s1
InChIKeyJRUZKYLJJWKTEC-SECBINFHSA-O
XLogP3.04
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.67
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697995
N-(2,4-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2655213
N-(2-chloro-5-nitrophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 7815371
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 8930404
methyl 1-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperidin-1-ium-4-carboxylate
CID 8001387
N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2698019
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697951
N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583450
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8583312
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2482970
N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8623367

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide (CID 2697959) is 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide is C[C@@H]1CCCC[NH+]1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is JRUZKYLJJWKTEC-SECBINFHSA-O. The full InChI is InChI=1S/C14H17Cl3N2O/c1-9-4-2-3-5-19(9)8-13(20)18-14-11(16)6-10(15)7-12(14)17/h6-7,9H,2-5,8H2,1H3,(H,18,20)/p+1/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 336.67 g/mol, XLogP of 3.04, 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-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 2697959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).