3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride

C18H29ClN2O3 — CID 120889122

IUPAC3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
SMILESCCOc1cc(C(=O)NCC2(COC)CCNCC2)ccc1C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-23-16-11-15(6-5-14(16)2)17(21)20-12-18(13-22-3)7-9-19-10-8-18;/h5-6,11,19H,4,7-10,12-13H2,1-3H3,(H,20,21);1H
InChIKeySNRKZEIJVKXDLJ-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.56
Rot. Bonds7

About 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride

3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride (PubChem CID 120889122) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
PubChem CID120889122
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
SMILESCCOc1cc(C(=O)NCC2(COC)CCNCC2)ccc1C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-23-16-11-15(6-5-14(16)2)17(21)20-12-18(13-22-3)7-9-19-10-8-18;/h5-6,11,19H,4,7-10,12-13H2,1-3H3,(H,20,21);1H
InChIKeySNRKZEIJVKXDLJ-UHFFFAOYSA-N
XLogP2.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
CID 120887298
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120890902
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 120887254
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 120890389
4-cyclopentyloxy-3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887531

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride (CID 120889122) is 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride is CCOc1cc(C(=O)NCC2(COC)CCNCC2)ccc1C.Cl.
What is the InChIKey of 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride?
The InChIKey is SNRKZEIJVKXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-4-23-16-11-15(6-5-14(16)2)17(21)20-12-18(13-22-3)7-9-19-10-8-18;/h5-6,11,19H,4,7-10,12-13H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride?
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 120889122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).