3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione

C16H30N2O2 — CID 107888908

IUPAC3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(CC)(CC)NC(=O)C1(C)CC
InChIInChI=1S/C16H30N2O2/c1-7-11-12(5)18-14(20)16(9-3,10-4)17-13(19)15(18,6)8-2/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyVRIYAXTZRVUYQB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.86
Rot. Bonds6

About 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione

3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione (PubChem CID 107888908) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
PubChem CID107888908
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(CC)(CC)NC(=O)C1(C)CC
InChIInChI=1S/C16H30N2O2/c1-7-11-12(5)18-14(20)16(9-3,10-4)17-13(19)15(18,6)8-2/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyVRIYAXTZRVUYQB-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione (CID 107888908) is 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione is CCCC(C)N1C(=O)C(CC)(CC)NC(=O)C1(C)CC.
What is the InChIKey of 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The InChIKey is VRIYAXTZRVUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-7-11-12(5)18-14(20)16(9-3,10-4)17-13(19)15(18,6)8-2/h12H,7-11H2,1-6H3,(H,17,19).
What are the key properties of 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107888908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).