3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione

C10H18N2O2 — CID 64874694

IUPAC3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(C(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-6(2)12-8(13)7(3)11-9(14)10(12,4)5/h6-7H,1-5H3,(H,11,14)
InChIKeyXDOIMOQDOQLLDA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.52
Rot. Bonds1

About 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione

3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione (PubChem CID 64874694) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione
PubChem CID64874694
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(C(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-6(2)12-8(13)7(3)11-9(14)10(12,4)5/h6-7H,1-5H3,(H,11,14)
InChIKeyXDOIMOQDOQLLDA-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione (CID 64874694) is 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C)(C)N(C(C)C)C1=O.
What is the InChIKey of 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione?
The InChIKey is XDOIMOQDOQLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)12-8(13)7(3)11-9(14)10(12,4)5/h6-7H,1-5H3,(H,11,14).
What are the key properties of 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione?
3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64874694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).