tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate

C11H20N2O4 — CID 58853916

IUPACtert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate
SMILESCOCC1C(=O)NCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-9(14)8(13)7-16-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyZNYQENZIQRBHEH-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.37
Rot. Bonds2

About tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate

tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate (PubChem CID 58853916) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate
PubChem CID58853916
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate
SMILESCOCC1C(=O)NCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-9(14)8(13)7-16-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyZNYQENZIQRBHEH-UHFFFAOYSA-N
XLogP0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate (CID 58853916) is tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate is COCC1C(=O)NCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is ZNYQENZIQRBHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-9(14)8(13)7-16-4/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate?
tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methoxymethyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 58853916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).