3,6-bis(1-aminoethyl)piperazine-2,5-dione

C8H16N4O2 — CID 169008895

IUPAC3,6-bis(1-aminoethyl)piperazine-2,5-dione
SMILESCC(N)C1NC(=O)C(C(C)N)NC1=O
InChIInChI=1S/C8H16N4O2/c1-3(9)5-7(13)12-6(4(2)10)8(14)11-5/h3-6H,9-10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyQNRLKEWLACVDAH-UHFFFAOYSA-N
MW200.24 g/mol
LogP-2.34
Rot. Bonds2

About 3,6-bis(1-aminoethyl)piperazine-2,5-dione

3,6-bis(1-aminoethyl)piperazine-2,5-dione (PubChem CID 169008895) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3,6-bis(1-aminoethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis(1-aminoethyl)piperazine-2,5-dione
PubChem CID169008895
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3,6-bis(1-aminoethyl)piperazine-2,5-dione
SMILESCC(N)C1NC(=O)C(C(C)N)NC1=O
InChIInChI=1S/C8H16N4O2/c1-3(9)5-7(13)12-6(4(2)10)8(14)11-5/h3-6H,9-10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyQNRLKEWLACVDAH-UHFFFAOYSA-N
XLogP-2.34
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(1-aminoethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-bis(1-aminoethyl)piperazine-2,5-dione (CID 169008895) is 3,6-bis(1-aminoethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-bis(1-aminoethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-bis(1-aminoethyl)piperazine-2,5-dione is CC(N)C1NC(=O)C(C(C)N)NC1=O.
What is the InChIKey of 3,6-bis(1-aminoethyl)piperazine-2,5-dione?
The InChIKey is QNRLKEWLACVDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-3(9)5-7(13)12-6(4(2)10)8(14)11-5/h3-6H,9-10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3,6-bis(1-aminoethyl)piperazine-2,5-dione?
3,6-bis(1-aminoethyl)piperazine-2,5-dione has a molecular weight of 200.24 g/mol, XLogP of -2.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(1-aminoethyl)piperazine-2,5-dione is sourced from PubChem (CID 169008895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).