N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

C22H35ClN2O2 — CID 120887824

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2(c3ccccc3C)CCCCC2)CCNCC1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-18-8-4-5-9-19(18)22(10-6-3-7-11-22)20(25)24-16-21(17-26-2)12-14-23-15-13-21;/h4-5,8-9,23H,3,6-7,10-17H2,1-2H3,(H,24,25);1H
InChIKeyJOWJIZHEXJEBDG-UHFFFAOYSA-N
MW394.99 g/mol
LogP3.75
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 120887824) has the molecular formula C22H35ClN2O2 and a molecular weight of 394.99 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID120887824
Molecular FormulaC22H35ClN2O2
Molecular Weight394.99 g/mol
Exact Mass394.24
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2(c3ccccc3C)CCCCC2)CCNCC1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-18-8-4-5-9-19(18)22(10-6-3-7-11-22)20(25)24-16-21(17-26-2)12-14-23-15-13-21;/h4-5,8-9,23H,3,6-7,10-17H2,1-2H3,(H,24,25);1H
InChIKeyJOWJIZHEXJEBDG-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 120890713
4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120629984
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 120890674
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120888880
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120888205
1-(3-methoxy-4-methylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 120890717
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
1-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 120890611
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
1-(3,5-dimethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120890775

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 120887824) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is COCC1(CNC(=O)C2(c3ccccc3C)CCCCC2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is JOWJIZHEXJEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.ClH/c1-18-8-4-5-9-19(18)22(10-6-3-7-11-22)20(25)24-16-21(17-26-2)12-14-23-15-13-21;/h4-5,8-9,23H,3,6-7,10-17H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 394.99 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120887824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).