[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C24H34N2O6 — CID 55479002

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CCC(C(=O)OCC(=O)N2CCOC(C)C2)C1c1ccccc1OC
InChIInChI=1S/C24H34N2O6/c1-4-5-12-26-21(27)11-10-19(23(26)18-8-6-7-9-20(18)30-3)24(29)32-16-22(28)25-13-14-31-17(2)15-25/h6-9,17,19,23H,4-5,10-16H2,1-3H3
InChIKeyJNORZNRPUXLMJS-UHFFFAOYSA-N
MW446.54 g/mol
LogP2.57
Rot. Bonds8

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 55479002) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID55479002
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CCC(C(=O)OCC(=O)N2CCOC(C)C2)C1c1ccccc1OC
InChIInChI=1S/C24H34N2O6/c1-4-5-12-26-21(27)11-10-19(23(26)18-8-6-7-9-20(18)30-3)24(29)32-16-22(28)25-13-14-31-17(2)15-25/h6-9,17,19,23H,4-5,10-16H2,1-3H3
InChIKeyJNORZNRPUXLMJS-UHFFFAOYSA-N
XLogP2.57
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 55479002) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate is CCCCN1C(=O)CCC(C(=O)OCC(=O)N2CCOC(C)C2)C1c1ccccc1OC.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is JNORZNRPUXLMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-4-5-12-26-21(27)11-10-19(23(26)18-8-6-7-9-20(18)30-3)24(29)32-16-22(28)25-13-14-31-17(2)15-25/h6-9,17,19,23H,4-5,10-16H2,1-3H3.
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 446.54 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 55479002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).