3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

C17H26N2O3 — CID 120888252

IUPAC3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCCOc1cccc(C(=O)NCC2(COC)CCNCC2)c1
InChIInChI=1S/C17H26N2O3/c1-3-22-15-6-4-5-14(11-15)16(20)19-12-17(13-21-2)7-9-18-10-8-17/h4-6,11,18H,3,7-10,12-13H2,1-2H3,(H,19,20)
InChIKeyGZNSJWDICLNDED-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.83
Rot. Bonds7

About 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 120888252) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
PubChem CID120888252
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCCOc1cccc(C(=O)NCC2(COC)CCNCC2)c1
InChIInChI=1S/C17H26N2O3/c1-3-22-15-6-4-5-14(11-15)16(20)19-12-17(13-21-2)7-9-18-10-8-17/h4-6,11,18H,3,7-10,12-13H2,1-2H3,(H,19,20)
InChIKeyGZNSJWDICLNDED-UHFFFAOYSA-N
XLogP1.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 120887377
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
CID 120887298
3-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 120887481
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (CID 120888252) is 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is CCOc1cccc(C(=O)NCC2(COC)CCNCC2)c1.
What is the InChIKey of 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is GZNSJWDICLNDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-22-15-6-4-5-14(11-15)16(20)19-12-17(13-21-2)7-9-18-10-8-17/h4-6,11,18H,3,7-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of 3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.83, 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]benzamide is sourced from PubChem (CID 120888252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).