1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione

C14H26N2O2 — CID 82934843

IUPAC1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC(CC)CN1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C14H26N2O2/c1-6-11(7-2)8-16-10(5)13(17)15-12(9(3)4)14(16)18/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyBHUSKSLPKYKKOX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.79
Rot. Bonds5

About 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione

1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 82934843) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID82934843
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC(CC)CN1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C14H26N2O2/c1-6-11(7-2)8-16-10(5)13(17)15-12(9(3)4)14(16)18/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyBHUSKSLPKYKKOX-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 82934843) is 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is CCC(CC)CN1C(=O)C(C(C)C)NC(=O)C1C.
What is the InChIKey of 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BHUSKSLPKYKKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-11(7-2)8-16-10(5)13(17)15-12(9(3)4)14(16)18/h9-12H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 82934843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).