tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate

C12H22N2O4 — CID 18783901

IUPACtert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate
SMILESCOCCN1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13(7-8-17-4)10(15)9-14/h5-9H2,1-4H3
InChIKeyDYHAFQGLDMSQCD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.71
Rot. Bonds3

About tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate

tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate (PubChem CID 18783901) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate
PubChem CID18783901
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate
SMILESCOCCN1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13(7-8-17-4)10(15)9-14/h5-9H2,1-4H3
InChIKeyDYHAFQGLDMSQCD-UHFFFAOYSA-N
XLogP0.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate (CID 18783901) is tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate is COCCN1CCN(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is DYHAFQGLDMSQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13(7-8-17-4)10(15)9-14/h5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate?
tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 18783901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).