4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide

C18H28N2O4 — CID 120891978

IUPAC4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
SMILESCOCC1(CNC(=O)c2cc(OC)c(OC)cc2C)CCNCC1
InChIInChI=1S/C18H28N2O4/c1-13-9-15(23-3)16(24-4)10-14(13)17(21)20-11-18(12-22-2)5-7-19-8-6-18/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyTTWZMTULJAUIEL-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.76
Rot. Bonds7

About 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide

4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide (PubChem CID 120891978) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
PubChem CID120891978
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
SMILESCOCC1(CNC(=O)c2cc(OC)c(OC)cc2C)CCNCC1
InChIInChI=1S/C18H28N2O4/c1-13-9-15(23-3)16(24-4)10-14(13)17(21)20-11-18(12-22-2)5-7-19-8-6-18/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyTTWZMTULJAUIEL-UHFFFAOYSA-N
XLogP1.76
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
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
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120890902
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 120887254
5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120889315

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The IUPAC name of 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide (CID 120891978) is 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The canonical SMILES for 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide is COCC1(CNC(=O)c2cc(OC)c(OC)cc2C)CCNCC1.
What is the InChIKey of 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The InChIKey is TTWZMTULJAUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-9-15(23-3)16(24-4)10-14(13)17(21)20-11-18(12-22-2)5-7-19-8-6-18/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,21).
What are the key properties of 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide?
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide has a molecular weight of 336.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120891978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).