2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

C18H29ClN2O3 — CID 120889634

IUPAC2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)COc2c(C)cccc2C)CCNCC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-14-5-4-6-15(2)17(14)23-11-16(21)20-12-18(13-22-3)7-9-19-10-8-18;/h4-6,19H,7-13H2,1-3H3,(H,20,21);1H
InChIKeyXCMRCRXBMRJXGD-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.24
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (PubChem CID 120889634) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
PubChem CID120889634
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)COc2c(C)cccc2C)CCNCC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-14-5-4-6-15(2)17(14)23-11-16(21)20-12-18(13-22-3)7-9-19-10-8-18;/h4-6,19H,7-13H2,1-3H3,(H,20,21);1H
InChIKeyXCMRCRXBMRJXGD-UHFFFAOYSA-N
XLogP2.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120890622
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 120890968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-(4-hydroxyphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120890491
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120888896
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (CID 120889634) is 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is COCC1(CNC(=O)COc2c(C)cccc2C)CCNCC1.Cl.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is XCMRCRXBMRJXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-14-5-4-6-15(2)17(14)23-11-16(21)20-12-18(13-22-3)7-9-19-10-8-18;/h4-6,19H,7-13H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120889634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).