methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C13H22N2O5 — CID 22013810

IUPACmethyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1NCCN(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)8-15-6-5-14-9(12(15)18)7-10(16)19-4/h9,14H,5-8H2,1-4H3
InChIKeyAKHHGGQXZBUVMH-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.31
Rot. Bonds4

About methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 22013810) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID22013810
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Namemethyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1NCCN(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)8-15-6-5-14-9(12(15)18)7-10(16)19-4/h9,14H,5-8H2,1-4H3
InChIKeyAKHHGGQXZBUVMH-UHFFFAOYSA-N
XLogP-0.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 22013810) is methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1NCCN(CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is AKHHGGQXZBUVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)8-15-6-5-14-9(12(15)18)7-10(16)19-4/h9,14H,5-8H2,1-4H3.
What are the key properties of methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 286.33 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 22013810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).