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

C18H31Cl2N3O2 — CID 120890666

IUPAC2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
SMILESCOCC1(CNC(=O)CNc2c(C)cccc2C)CCNCC1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-14-5-4-6-15(2)17(14)20-11-16(22)21-12-18(13-23-3)7-9-19-10-8-18;;/h4-6,19-20H,7-13H2,1-3H3,(H,21,22);2*1H
InChIKeyCQWFEDHHRWVKPY-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.69
Rot. Bonds7

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

2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride (PubChem CID 120890666) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
PubChem CID120890666
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
SMILESCOCC1(CNC(=O)CNc2c(C)cccc2C)CCNCC1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-14-5-4-6-15(2)17(14)20-11-16(22)21-12-18(13-23-3)7-9-19-10-8-18;;/h4-6,19-20H,7-13H2,1-3H3,(H,21,22);2*1H
InChIKeyCQWFEDHHRWVKPY-UHFFFAOYSA-N
XLogP2.69
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120889693
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]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120891835
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120890622
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120891836

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride (CID 120890666) is 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride is COCC1(CNC(=O)CNc2c(C)cccc2C)CCNCC1.Cl.Cl.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride?
The InChIKey is CQWFEDHHRWVKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-14-5-4-6-15(2)17(14)20-11-16(22)21-12-18(13-23-3)7-9-19-10-8-18;;/h4-6,19-20H,7-13H2,1-3H3,(H,21,22);2*1H.
What are the key properties of 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride?
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120890666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).