[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate

C17H22N2O6 — CID 55555560

IUPAC[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2cccnc2OC)CC1
InChIInChI=1S/C17H22N2O6/c1-3-24-16(21)12-6-9-19(10-7-12)14(20)11-25-17(22)13-5-4-8-18-15(13)23-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3
InChIKeyFJHMHVZLOQTMJX-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.05
Rot. Bonds6

About [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate

[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate (PubChem CID 55555560) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
PubChem CID55555560
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2cccnc2OC)CC1
InChIInChI=1S/C17H22N2O6/c1-3-24-16(21)12-6-9-19(10-7-12)14(20)11-25-17(22)13-5-4-8-18-15(13)23-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3
InChIKeyFJHMHVZLOQTMJX-UHFFFAOYSA-N
XLogP1.05
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 7740885
ethyl 1-[2-(2-nitrobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 9454739
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate
CID 38702786
ethyl 1-[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55306358
ethyl 1-[2-(2,5-dimethylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23990490
ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 46641189
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 30432280
ethyl 1-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55495300
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate?
The IUPAC name of [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate (CID 55555560) is [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate?
The canonical SMILES for [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2cccnc2OC)CC1.
What is the InChIKey of [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate?
The InChIKey is FJHMHVZLOQTMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-3-24-16(21)12-6-9-19(10-7-12)14(20)11-25-17(22)13-5-4-8-18-15(13)23-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3.
What are the key properties of [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate?
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 55555560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).