2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

C16H24Cl2N2O3 — CID 120891144

IUPAC2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2c(Cl)cccc2OC)CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-21-11-16(6-8-18-9-7-16)10-19-15(20)14-12(17)4-3-5-13(14)22-2;/h3-5,18H,6-11H2,1-2H3,(H,19,20);1H
InChIKeyMIKLDWDYGBMQJQ-UHFFFAOYSA-N
MW363.29 g/mol
LogP2.52
Rot. Bonds6

About 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (PubChem CID 120891144) has the molecular formula C16H24Cl2N2O3 and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
PubChem CID120891144
Molecular FormulaC16H24Cl2N2O3
Molecular Weight363.29 g/mol
Exact Mass362.12
IUPAC Name2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2c(Cl)cccc2OC)CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-21-11-16(6-8-18-9-7-16)10-19-15(20)14-12(17)4-3-5-13(14)22-2;/h3-5,18H,6-11H2,1-2H3,(H,19,20);1H
InChIKeyMIKLDWDYGBMQJQ-UHFFFAOYSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890520
3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120891749
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
3-(2-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 120890243
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120889693
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 120890713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (CID 120891144) is 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is COCC1(CNC(=O)c2c(Cl)cccc2OC)CCNCC1.Cl.
What is the InChIKey of 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The InChIKey is MIKLDWDYGBMQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3.ClH/c1-21-11-16(6-8-18-9-7-16)10-19-15(20)14-12(17)4-3-5-13(14)22-2;/h3-5,18H,6-11H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120891144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).