3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione

C17H30N2O2 — CID 82926835

IUPAC3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione
SMILESCCC(CC)CN1C(=O)C(C2CC2)NC(=O)C1(CC)CC
InChIInChI=1S/C17H30N2O2/c1-5-12(6-2)11-19-15(20)14(13-9-10-13)18-16(21)17(19,7-3)8-4/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyPZXLLLNIUDMYAJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds7

About 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione

3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione (PubChem CID 82926835) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione
PubChem CID82926835
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione
SMILESCCC(CC)CN1C(=O)C(C2CC2)NC(=O)C1(CC)CC
InChIInChI=1S/C17H30N2O2/c1-5-12(6-2)11-19-15(20)14(13-9-10-13)18-16(21)17(19,7-3)8-4/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyPZXLLLNIUDMYAJ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione (CID 82926835) is 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione is CCC(CC)CN1C(=O)C(C2CC2)NC(=O)C1(CC)CC.
What is the InChIKey of 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione?
The InChIKey is PZXLLLNIUDMYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-12(6-2)11-19-15(20)14(13-9-10-13)18-16(21)17(19,7-3)8-4/h12-14H,5-11H2,1-4H3,(H,18,21).
What are the key properties of 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione?
3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6,6-diethyl-1-(2-ethylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 82926835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).