1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate

C14H26N2O5 — CID 170553356

IUPAC1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate
SMILESCOCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1
InChIInChI=1S/C14H26N2O5/c1-14(2,3)21-13(18)16-7-6-15(8-9-19-4)10-11(16)12(17)20-5/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyJLSQGFBBXNIIBB-LLVKDONJSA-N
MW302.37 g/mol
LogP0.73
Rot. Bonds4

About 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate (PubChem CID 170553356) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate
PubChem CID170553356
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate
SMILESCOCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1
InChIInChI=1S/C14H26N2O5/c1-14(2,3)21-13(18)16-7-6-15(8-9-19-4)10-11(16)12(17)20-5/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyJLSQGFBBXNIIBB-LLVKDONJSA-N
XLogP0.73
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-O-tert-butyl 2-O-methyl (2R)-4-[(4R)-3,3,4-trimethyl-5-oxohexyl]piperazine-1,2-dicarboxylate
CID 174069546
1-O-tert-butyl 2-O-methyl (2S)-4-tert-butylpiperazine-1,2-dicarboxylate
CID 102106555
1-O-tert-butyl 2-O-methyl 4-[4-(4-fluorophenyl)but-3-ynyl]piperazine-1,2-dicarboxylate
CID 123621777
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
1-O,4-O-ditert-butyl 2-O-methyl 1,4-diazepane-1,2,4-tricarboxylate
CID 57362699
1-O-tert-butyl 2-O-methyl 4-(2-methylpropanoyl)piperazine-1,2-dicarboxylate
CID 170758128
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl 2-carbamoyl-4-(2-cyanoethyl)piperazine-1-carboxylate
CID 14877966
1-O-tert-butyl 2-O-methyl (2S)-4-(3-oxobutanethioyl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(3-oxobutanoyl)piperazine-1,2-dicarboxylate
CID 160902962
1-O-tert-butyl 2-O-methyl (2R)-4-[(4S)-4-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-5-oxo-5-phenylmethoxypentyl]piperazine-1,2-dicarboxylate
CID 166459287
tert-butyl 3-(2-methoxyethyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 169121568
dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate
CID 175320362

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate (CID 170553356) is 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate is COCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate?
The InChIKey is JLSQGFBBXNIIBB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-14(2,3)21-13(18)16-7-6-15(8-9-19-4)10-11(16)12(17)20-5/h11H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate has a molecular weight of 302.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate is sourced from PubChem (CID 170553356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).