[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate

C17H20N2O6 — CID 71887849

IUPAC[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate
SMILESCOC(=O)c1ccccc1N(C)C(=O)COC(=O)C1CCC(=O)NC1
InChIInChI=1S/C17H20N2O6/c1-19(13-6-4-3-5-12(13)17(23)24-2)15(21)10-25-16(22)11-7-8-14(20)18-9-11/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyPOIJUIMGFFUZEX-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.51
Rot. Bonds5

About [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate

[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate (PubChem CID 71887849) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate
PubChem CID71887849
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate
SMILESCOC(=O)c1ccccc1N(C)C(=O)COC(=O)C1CCC(=O)NC1
InChIInChI=1S/C17H20N2O6/c1-19(13-6-4-3-5-12(13)17(23)24-2)15(21)10-25-16(22)11-7-8-14(20)18-9-11/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyPOIJUIMGFFUZEX-UHFFFAOYSA-N
XLogP0.51
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate?
The IUPAC name of [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate (CID 71887849) is [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate?
The canonical SMILES for [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate is COC(=O)c1ccccc1N(C)C(=O)COC(=O)C1CCC(=O)NC1.
What is the InChIKey of [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate?
The InChIKey is POIJUIMGFFUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-19(13-6-4-3-5-12(13)17(23)24-2)15(21)10-25-16(22)11-7-8-14(20)18-9-11/h3-6,11H,7-10H2,1-2H3,(H,18,20).
What are the key properties of [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate?
[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 71887849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).