3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride

C19H31ClN2O3 — CID 120888493

IUPAC3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCOc2ccc(C)cc2C)CCNCC1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-15-4-5-17(16(2)12-15)24-11-6-18(22)21-13-19(14-23-3)7-9-20-10-8-19;/h4-5,12,20H,6-11,13-14H2,1-3H3,(H,21,22);1H
InChIKeyIMJDYODUEFOZHT-UHFFFAOYSA-N
MW370.92 g/mol
LogP2.63
Rot. Bonds8

About 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride

3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (PubChem CID 120888493) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
PubChem CID120888493
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCOc2ccc(C)cc2C)CCNCC1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-15-4-5-17(16(2)12-15)24-11-6-18(22)21-13-19(14-23-3)7-9-20-10-8-19;/h4-5,12,20H,6-11,13-14H2,1-3H3,(H,21,22);1H
InChIKeyIMJDYODUEFOZHT-UHFFFAOYSA-N
XLogP2.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120890622
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 120890633
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848868
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (CID 120888493) is 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is COCC1(CNC(=O)CCOc2ccc(C)cc2C)CCNCC1.Cl.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The InChIKey is IMJDYODUEFOZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-15-4-5-17(16(2)12-15)24-11-6-18(22)21-13-19(14-23-3)7-9-20-10-8-19;/h4-5,12,20H,6-11,13-14H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120888493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).