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

C22H35ClN2O3 — CID 120888880

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2(c3ccc(OC)cc3)CCCCC2)CCNCC1.Cl
InChIInChI=1S/C22H34N2O3.ClH/c1-26-17-21(12-14-23-15-13-21)16-24-20(25)22(10-4-3-5-11-22)18-6-8-19(27-2)9-7-18;/h6-9,23H,3-5,10-17H2,1-2H3,(H,24,25);1H
InChIKeyJNTOVRVWJQHCLF-UHFFFAOYSA-N
MW410.99 g/mol
LogP3.45
Rot. Bonds7

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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 120888880) has the molecular formula C22H35ClN2O3 and a molecular weight of 410.99 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID120888880
Molecular FormulaC22H35ClN2O3
Molecular Weight410.99 g/mol
Exact Mass410.23
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2(c3ccc(OC)cc3)CCCCC2)CCNCC1.Cl
InChIInChI=1S/C22H34N2O3.ClH/c1-26-17-21(12-14-23-15-13-21)16-24-20(25)22(10-4-3-5-11-22)18-6-8-19(27-2)9-7-18;/h6-9,23H,3-5,10-17H2,1-2H3,(H,24,25);1H
InChIKeyJNTOVRVWJQHCLF-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
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-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 120890135
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 120890674
1-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 120890611
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120888205
1-(3,5-dimethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120890775
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 120887299
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 120890713
2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 120888880) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is COCC1(CNC(=O)C2(c3ccc(OC)cc3)CCCCC2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is JNTOVRVWJQHCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3.ClH/c1-26-17-21(12-14-23-15-13-21)16-24-20(25)22(10-4-3-5-11-22)18-6-8-19(27-2)9-7-18;/h6-9,23H,3-5,10-17H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120888880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).