N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide

C16H23Cl2N2O+ — CID 8930472

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-10-6-11(2)8-20(7-10)9-14(21)19-16-13(17)5-4-12(3)15(16)18/h4-5,10-11H,6-9H2,1-3H3,(H,19,21)/p+1/t10-,11-/m0/s1
InChIKeyKHYBYPOQVTVYPY-QWRGUYRKSA-O
MW330.28 g/mol
LogP2.80
Rot. Bonds3

About N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8930472) has the molecular formula C16H23Cl2N2O+ and a molecular weight of 330.28 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
PubChem CID8930472
Molecular FormulaC16H23Cl2N2O+
Molecular Weight330.28 g/mol
Exact Mass329.12
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-10-6-11(2)8-20(7-10)9-14(21)19-16-13(17)5-4-12(3)15(16)18/h4-5,10-11H,6-9H2,1-3H3,(H,19,21)/p+1/t10-,11-/m0/s1
InChIKeyKHYBYPOQVTVYPY-QWRGUYRKSA-O
XLogP2.80
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 8930404
2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 8904622
(3S)-1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305597
N-(2,6-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929985
ethyl 4-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2654222
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8931075
2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 64618728
N-(2,6-dichloro-3-methylphenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2656131
N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681882
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-iodophenyl)acetamide
CID 8930854

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (CID 8930472) is N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is Cc1ccc(Cl)c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is KHYBYPOQVTVYPY-QWRGUYRKSA-O. The full InChI is InChI=1S/C16H22Cl2N2O/c1-10-6-11(2)8-20(7-10)9-14(21)19-16-13(17)5-4-12(3)15(16)18/h4-5,10-11H,6-9H2,1-3H3,(H,19,21)/p+1/t10-,11-/m0/s1.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 330.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8930472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).