2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide

C17H24N2O4 — CID 17433247

IUPAC2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H24N2O4/c1-11-6-12(2)9-19(8-11)16(20)10-23-15-7-13(22-3)4-5-14(15)17(18)21/h4-5,7,11-12H,6,8-10H2,1-3H3,(H2,18,21)
InChIKeySIMQRBCXJWYLSG-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.68
Rot. Bonds5

About 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide (PubChem CID 17433247) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide
PubChem CID17433247
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H24N2O4/c1-11-6-12(2)9-19(8-11)16(20)10-23-15-7-13(22-3)4-5-14(15)17(18)21/h4-5,7,11-12H,6,8-10H2,1-3H3,(H2,18,21)
InChIKeySIMQRBCXJWYLSG-UHFFFAOYSA-N
XLogP1.68
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592108
2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 17217256
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2513155
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522249
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(6-methyl-3-pyridinyl)oxy]ethanone
CID 95353267
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 7283920
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide (CID 17433247) is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCC(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide?
The InChIKey is SIMQRBCXJWYLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-6-12(2)9-19(8-11)16(20)10-23-15-7-13(22-3)4-5-14(15)17(18)21/h4-5,7,11-12H,6,8-10H2,1-3H3,(H2,18,21).
What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide?
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide has a molecular weight of 320.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide is sourced from PubChem (CID 17433247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).