N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide

C16H25N2O+ — CID 2697923

IUPACN-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)cc1C
InChIInChI=1S/C16H24N2O/c1-12-7-8-15(10-13(12)2)17-16(19)11-18-9-5-4-6-14(18)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,17,19)/p+1/t14-/m0/s1
InChIKeyXWVYPNDFEMGJII-AWEZNQCLSA-O
MW261.39 g/mol
LogP1.70
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2697923) has the molecular formula C16H25N2O+ and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2697923
Molecular FormulaC16H25N2O+
Molecular Weight261.39 g/mol
Exact Mass261.20
IUPAC NameN-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)cc1C
InChIInChI=1S/C16H24N2O/c1-12-7-8-15(10-13(12)2)17-16(19)11-18-9-5-4-6-14(18)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,17,19)/p+1/t14-/m0/s1
InChIKeyXWVYPNDFEMGJII-AWEZNQCLSA-O
XLogP1.70
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697951
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-[4-(dimethylsulfamoyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2482970
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324
N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583450
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583478
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2697959
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 11931269
2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 8583454
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8835014
N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8583444

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 2697923) is N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide is Cc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is XWVYPNDFEMGJII-AWEZNQCLSA-O. The full InChI is InChI=1S/C16H24N2O/c1-12-7-8-15(10-13(12)2)17-16(19)11-18-9-5-4-6-14(18)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,17,19)/p+1/t14-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 261.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2697923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).