4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione

C11H20N4O2 — CID 59840666

IUPAC4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione
SMILESC[C@@H](CN1CCNCC1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H20N4O2/c1-9(6-14-4-2-12-3-5-14)15-7-10(16)13-11(17)8-15/h9,12H,2-8H2,1H3,(H,13,16,17)/t9-/m0/s1
InChIKeyQXMZOEIEIILYJM-VIFPVBQESA-N
MW240.31 g/mol
LogP-1.76
Rot. Bonds3

About 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione

4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione (PubChem CID 59840666) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione
PubChem CID59840666
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione
SMILESC[C@@H](CN1CCNCC1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H20N4O2/c1-9(6-14-4-2-12-3-5-14)15-7-10(16)13-11(17)8-15/h9,12H,2-8H2,1H3,(H,13,16,17)/t9-/m0/s1
InChIKeyQXMZOEIEIILYJM-VIFPVBQESA-N
XLogP-1.76
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione (CID 59840666) is 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione is C[C@@H](CN1CCNCC1)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione?
The InChIKey is QXMZOEIEIILYJM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(6-14-4-2-12-3-5-14)15-7-10(16)13-11(17)8-15/h9,12H,2-8H2,1H3,(H,13,16,17)/t9-/m0/s1.
What are the key properties of 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione?
4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione has a molecular weight of 240.31 g/mol, XLogP of -1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 59840666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).