N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C16H26ClN3O — CID 119923569

IUPACN-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)Nc2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-12-5-4-6-15(13(12)2)18-16(20)11-19-9-7-14(17-3)8-10-19;/h4-6,14,17H,7-11H2,1-3H3,(H,18,20);1H
InChIKeyHEXLYRJPOODHKB-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.35
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119923569) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119923569
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)Nc2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-12-5-4-6-15(13(12)2)18-16(20)11-19-9-7-14(17-3)8-10-19;/h4-6,14,17H,7-11H2,1-3H3,(H,18,20);1H
InChIKeyHEXLYRJPOODHKB-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 134038789
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119923569) is N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCN(CC(=O)Nc2cccc(C)c2C)CC1.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is HEXLYRJPOODHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-12-5-4-6-15(13(12)2)18-16(20)11-19-9-7-14(17-3)8-10-19;/h4-6,14,17H,7-11H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.35, 4 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-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119923569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).