azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate

C11H23N3O4 — CID 154966146

IUPACazane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
SMILESCOC(=O)C1CNCCN1C(=O)OC(C)(C)C.N
InChIInChI=1S/C11H20N2O4.H3N/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H3
InChIKeyDWXYWPLHYDHQMU-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.53
Rot. Bonds1

About azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate

azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate (PubChem CID 154966146) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate.

Molecular Properties

Compound Nameazane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
PubChem CID154966146
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Nameazane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
SMILESCOC(=O)C1CNCCN1C(=O)OC(C)(C)C.N
InChIInChI=1S/C11H20N2O4.H3N/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H3
InChIKeyDWXYWPLHYDHQMU-UHFFFAOYSA-N
XLogP0.53
TPSA102.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S)-1,4-diazepane-1,2-dicarboxylate
CID 86325147
tert-butyl 2-(methoxycarbamoyl)piperazine-1-carboxylate
CID 86654626
1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate
CID 67976605
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate
CID 154651315
2-O-benzyl 1-O-tert-butyl (2S)-piperazine-1,2-dicarboxylate
CID 67807458
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate
CID 141077468
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carbonyl]benzoic acid
CID 141001092
tert-butyl (2S)-2-methylsulfanylpiperazine-1-carboxylate
CID 97170570

Frequently Asked Questions

What is the IUPAC name of azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate?
The IUPAC name of azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate (CID 154966146) is azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate.
What is the SMILES notation for azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate?
The canonical SMILES for azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate is COC(=O)C1CNCCN1C(=O)OC(C)(C)C.N.
What is the InChIKey of azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate?
The InChIKey is DWXYWPLHYDHQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4.H3N/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H3.
What are the key properties of azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate?
azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate has a molecular weight of 261.32 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate is sourced from PubChem (CID 154966146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).