2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

C17H26Cl2N2O3 — CID 120891160

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)Cc2cc(Cl)ccc2OC)CCNCC1.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-22-12-17(5-7-19-8-6-17)11-20-16(21)10-13-9-14(18)3-4-15(13)23-2;/h3-4,9,19H,5-8,10-12H2,1-2H3,(H,20,21);1H
InChIKeyWZPXMKAHBUIADR-UHFFFAOYSA-N
MW377.31 g/mol
LogP2.45
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (PubChem CID 120891160) has the molecular formula C17H26Cl2N2O3 and a molecular weight of 377.31 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
PubChem CID120891160
Molecular FormulaC17H26Cl2N2O3
Molecular Weight377.31 g/mol
Exact Mass376.13
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)Cc2cc(Cl)ccc2OC)CCNCC1.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-22-12-17(5-7-19-8-6-17)11-20-16(21)10-13-9-14(18)3-4-15(13)23-2;/h3-4,9,19H,5-8,10-12H2,1-2H3,(H,20,21);1H
InChIKeyWZPXMKAHBUIADR-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144
2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888337
5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889744
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzamide;hydrochloride
CID 120887351
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120890544
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (CID 120891160) is 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is COCC1(CNC(=O)Cc2cc(Cl)ccc2OC)CCNCC1.Cl.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is WZPXMKAHBUIADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3.ClH/c1-22-12-17(5-7-19-8-6-17)11-20-16(21)10-13-9-14(18)3-4-15(13)23-2;/h3-4,9,19H,5-8,10-12H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 377.31 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120891160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).