3,6-di(propan-2-yl)piperazine-2,5-dione

C10H18N2O2 — CID 519728

IUPAC3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)NC1=O
InChIInChI=1S/C10H18N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-8H,1-4H3,(H,11,14)(H,12,13)
InChIKeyQGMAWEIDGADSAC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.28
Rot. Bonds2

About 3,6-di(propan-2-yl)piperazine-2,5-dione

3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 519728) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID519728
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)NC1=O
InChIInChI=1S/C10H18N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-8H,1-4H3,(H,11,14)(H,12,13)
InChIKeyQGMAWEIDGADSAC-UHFFFAOYSA-N
XLogP0.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3,6-di(propan-2-yl)piperazine-2,5-dione (CID 519728) is 3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)C1NC(=O)C(C(C)C)NC1=O.
What is the InChIKey of 3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is QGMAWEIDGADSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-8H,1-4H3,(H,11,14)(H,12,13).
What are the key properties of 3,6-di(propan-2-yl)piperazine-2,5-dione?
3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 519728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).