1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione

C14H26N2O3 — CID 112592161

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NCC(=O)N1CCOC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)8-11-13(18)15-9-12(17)16(11)6-7-19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyOJBFURSVTNASCE-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds5

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 112592161) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID112592161
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NCC(=O)N1CCOC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)8-11-13(18)15-9-12(17)16(11)6-7-19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyOJBFURSVTNASCE-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione (CID 112592161) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1C(=O)NCC(=O)N1CCOC(C)(C)C.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is OJBFURSVTNASCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-11-13(18)15-9-12(17)16(11)6-7-19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 112592161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).