1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione

C16H30N2O2 — CID 64872963

IUPAC1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(CCC)NC(=O)C1C
InChIInChI=1S/C16H30N2O2/c1-5-8-10-13(7-3)11-18-12(4)15(19)17-14(9-6-2)16(18)20/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyDFICYQNYVXWTFY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds8

About 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione

1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64872963) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64872963
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(CCC)NC(=O)C1C
InChIInChI=1S/C16H30N2O2/c1-5-8-10-13(7-3)11-18-12(4)15(19)17-14(9-6-2)16(18)20/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyDFICYQNYVXWTFY-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 64872963) is 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCCC(CC)CN1C(=O)C(CCC)NC(=O)C1C.
What is the InChIKey of 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is DFICYQNYVXWTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-8-10-13(7-3)11-18-12(4)15(19)17-14(9-6-2)16(18)20/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione?
1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).