tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione

C14H24N4O7 — CID 160911795

IUPACtert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione
SMILESCC(C)(C)OC(=O)N1CC(=O)NC(=O)C1.CO.O=C1CNCC(=O)N1
InChIInChI=1S/C9H14N2O4.C4H6N2O2.CH4O/c1-9(2,3)15-8(14)11-4-6(12)10-7(13)5-11;7-3-1-5-2-4(8)6-3;1-2/h4-5H2,1-3H3,(H,10,12,13);5H,1-2H2,(H,6,7,8);2H,1H3
InChIKeySQWPSXGSCVNHJF-UHFFFAOYSA-N
MW360.37 g/mol
LogP-2.28
Rot. Bonds

About tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione

tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione (PubChem CID 160911795) has the molecular formula C14H24N4O7 and a molecular weight of 360.37 g/mol. Its IUPAC name is tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione.

Molecular Properties

Compound Nametert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione
PubChem CID160911795
Molecular FormulaC14H24N4O7
Molecular Weight360.37 g/mol
Exact Mass360.16
IUPAC Nametert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione
SMILESCC(C)(C)OC(=O)N1CC(=O)NC(=O)C1.CO.O=C1CNCC(=O)N1
InChIInChI=1S/C9H14N2O4.C4H6N2O2.CH4O/c1-9(2,3)15-8(14)11-4-6(12)10-7(13)5-11;7-3-1-5-2-4(8)6-3;1-2/h4-5H2,1-3H3,(H,10,12,13);5H,1-2H2,(H,6,7,8);2H,1H3
InChIKeySQWPSXGSCVNHJF-UHFFFAOYSA-N
XLogP-2.28
TPSA154.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
CID 170354095
tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine
CID 158092707
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597040
tert-butyl 5,6-dimethyl-3-oxo-1,4-diazepane-1-carboxylate
CID 169181220
tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane
CID 169255055
tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 130941465
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
CID 67620494
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
tert-butyl 4,6-dioxo-1,2-dithia-5,8-diazaspiro[2.5]octane-8-carboxylate
CID 90205644
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione?
The IUPAC name of tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione (CID 160911795) is tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione.
What is the SMILES notation for tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione?
The canonical SMILES for tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione is CC(C)(C)OC(=O)N1CC(=O)NC(=O)C1.CO.O=C1CNCC(=O)N1.
What is the InChIKey of tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione?
The InChIKey is SQWPSXGSCVNHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4.C4H6N2O2.CH4O/c1-9(2,3)15-8(14)11-4-6(12)10-7(13)5-11;7-3-1-5-2-4(8)6-3;1-2/h4-5H2,1-3H3,(H,10,12,13);5H,1-2H2,(H,6,7,8);2H,1H3.
What are the key properties of tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione?
tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione has a molecular weight of 360.37 g/mol, XLogP of -2.28, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione is sourced from PubChem (CID 160911795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).