2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide

C16H24N2O3 — CID 23390396

IUPAC2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2CCCCN2C)c1
InChIInChI=1S/C16H24N2O3/c1-18-9-5-4-6-12(18)11-17-16(19)14-10-13(20-2)7-8-15(14)21-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyVGGHBMFRDDBAAD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.92
Rot. Bonds5

About 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide

2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide (PubChem CID 23390396) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
PubChem CID23390396
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2CCCCN2C)c1
InChIInChI=1S/C16H24N2O3/c1-18-9-5-4-6-12(18)11-17-16(19)14-10-13(20-2)7-8-15(14)21-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyVGGHBMFRDDBAAD-UHFFFAOYSA-N
XLogP1.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81420315
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80659468
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
N-[[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2,5-dimethoxybenzamide
CID 139612771
2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107027003
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide (CID 23390396) is 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide is COc1ccc(OC)c(C(=O)NCC2CCCCN2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The InChIKey is VGGHBMFRDDBAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18-9-5-4-6-12(18)11-17-16(19)14-10-13(20-2)7-8-15(14)21-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,17,19).
What are the key properties of 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 23390396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).