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

C14H19Cl2N2O+ — CID 2697995

IUPACN-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-10-5-2-3-8-18(10)9-13(19)17-14-11(15)6-4-7-12(14)16/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,19)/p+1/t10-/m1/s1
InChIKeyGRKYXIOZQLSBBO-SNVBAGLBSA-O
MW302.22 g/mol
LogP2.39
Rot. Bonds3

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

N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2697995) has the molecular formula C14H19Cl2N2O+ and a molecular weight of 302.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2697995
Molecular FormulaC14H19Cl2N2O+
Molecular Weight302.22 g/mol
Exact Mass301.09
IUPAC NameN-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-10-5-2-3-8-18(10)9-13(19)17-14-11(15)6-4-7-12(14)16/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,19)/p+1/t10-/m1/s1
InChIKeyGRKYXIOZQLSBBO-SNVBAGLBSA-O
XLogP2.39
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2697959
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-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2698019
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8583312
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324
2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
CID 8583080
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583450
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697951
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2482970

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 2697995) is N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is C[C@@H]1CCCC[NH+]1CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is GRKYXIOZQLSBBO-SNVBAGLBSA-O. The full InChI is InChI=1S/C14H18Cl2N2O/c1-10-5-2-3-8-18(10)9-13(19)17-14-11(15)6-4-7-12(14)16/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,19)/p+1/t10-/m1/s1.
What are the key properties of N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 302.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2697995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).