tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate

C15H26N4O4 — CID 58735716

IUPACtert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)CC1
InChIInChI=1S/C15H26N4O4/c1-15(2,3)23-14(22)18-8-6-17(7-9-18)11-13(21)19-5-4-16-12(20)10-19/h4-11H2,1-3H3,(H,16,20)
InChIKeySPGRHQAWIAGAEU-UHFFFAOYSA-N
MW326.40 g/mol
LogP-0.50
Rot. Bonds2

About tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate (PubChem CID 58735716) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate
PubChem CID58735716
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Nametert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)CC1
InChIInChI=1S/C15H26N4O4/c1-15(2,3)23-14(22)18-8-6-17(7-9-18)11-13(21)19-5-4-16-12(20)10-19/h4-11H2,1-3H3,(H,16,20)
InChIKeySPGRHQAWIAGAEU-UHFFFAOYSA-N
XLogP-0.50
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate (CID 58735716) is tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)CC1.
What is the InChIKey of tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is SPGRHQAWIAGAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-15(2,3)23-14(22)18-8-6-17(7-9-18)11-13(21)19-5-4-16-12(20)10-19/h4-11H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 326.40 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 58735716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).