N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide

C17H27N3O — CID 63250351

IUPACN-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCCCN1CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H27N3O/c1-13-7-6-9-16(14(13)2)19-17(21)12-20-10-5-4-8-15(20)11-18-3/h6-7,9,15,18H,4-5,8,10-12H2,1-3H3,(H,19,21)
InChIKeyYULSUSJUGWVDRI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.32
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63250351) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63250351
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCNCC1CCCCN1CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H27N3O/c1-13-7-6-9-16(14(13)2)19-17(21)12-20-10-5-4-8-15(20)11-18-3/h6-7,9,15,18H,4-5,8,10-12H2,1-3H3,(H,19,21)
InChIKeyYULSUSJUGWVDRI-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928583
1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025965
N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 16781307
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide (CID 63250351) is N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide is CNCC1CCCCN1CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is YULSUSJUGWVDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-6-9-16(14(13)2)19-17(21)12-20-10-5-4-8-15(20)11-18-3/h6-7,9,15,18H,4-5,8,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63250351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).