[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate

C22H28N2O6 — CID 3911319

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2CCCCC2C)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H28N2O6/c1-14-7-5-6-10-24(14)21(25)13-29-22(26)17-8-9-19(20(11-17)27-4)28-12-18-15(2)23-30-16(18)3/h8-9,11,14H,5-7,10,12-13H2,1-4H3
InChIKeyVUAANLYMWFKCNL-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.44
Rot. Bonds7

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate (PubChem CID 3911319) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
PubChem CID3911319
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2CCCCC2C)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H28N2O6/c1-14-7-5-6-10-24(14)21(25)13-29-22(26)17-8-9-19(20(11-17)27-4)28-12-18-15(2)23-30-16(18)3/h8-9,11,14H,5-7,10,12-13H2,1-4H3
InChIKeyVUAANLYMWFKCNL-UHFFFAOYSA-N
XLogP3.44
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate with MolForge

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Related Compounds

Cyanomethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2085889
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660675
2-{[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methoxy}-N-isopropylacetamide
CID 17253891
trans-(1S,3S)-3-[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 146814403
trans-(1S,3S)-3-[4-[3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]oxymethyl]-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155180704
[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2128689
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2466837
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 2477230
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2998209
[2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2998368
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4637858
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5217873

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate (CID 3911319) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate is COc1cc(C(=O)OCC(=O)N2CCCCC2C)ccc1OCc1c(C)noc1C.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate?
The InChIKey is VUAANLYMWFKCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-14-7-5-6-10-24(14)21(25)13-29-22(26)17-8-9-19(20(11-17)27-4)28-12-18-15(2)23-30-16(18)3/h8-9,11,14H,5-7,10,12-13H2,1-4H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate has a molecular weight of 416.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 3911319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).