6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione

C15H26N2O2 — CID 107902162

IUPAC6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1CC=C(C)C
InChIInChI=1S/C15H26N2O2/c1-6-13-14(18)16-12(9-11(4)5)15(19)17(13)8-7-10(2)3/h7,11-13H,6,8-9H2,1-5H3,(H,16,18)
InChIKeyYJYHZOWCXMORQZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.10
Rot. Bonds5

About 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione

6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 107902162) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID107902162
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1CC=C(C)C
InChIInChI=1S/C15H26N2O2/c1-6-13-14(18)16-12(9-11(4)5)15(19)17(13)8-7-10(2)3/h7,11-13H,6,8-9H2,1-5H3,(H,16,18)
InChIKeyYJYHZOWCXMORQZ-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 107902164
6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 114469767
6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
CID 116645570
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64902486
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82872513
1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962593
1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64901911

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 107902162) is 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione is CCC1C(=O)NC(CC(C)C)C(=O)N1CC=C(C)C.
What is the InChIKey of 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is YJYHZOWCXMORQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-13-14(18)16-12(9-11(4)5)15(19)17(13)8-7-10(2)3/h7,11-13H,6,8-9H2,1-5H3,(H,16,18).
What are the key properties of 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione?
6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 107902162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).