6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione

C16H28N2O3 — CID 114469767

IUPAC6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESC=C(C)COCCN1C(=O)C(CC(C)C)NC(=O)C1CC
InChIInChI=1S/C16H28N2O3/c1-6-14-15(19)17-13(9-11(2)3)16(20)18(14)7-8-21-10-12(4)5/h11,13-14H,4,6-10H2,1-3,5H3,(H,17,19)
InChIKeyPUSNVOHOFPQULI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds8

About 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione

6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 114469767) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID114469767
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESC=C(C)COCCN1C(=O)C(CC(C)C)NC(=O)C1CC
InChIInChI=1S/C16H28N2O3/c1-6-14-15(19)17-13(9-11(2)3)16(20)18(14)7-8-21-10-12(4)5/h11,13-14H,4,6-10H2,1-3,5H3,(H,17,19)
InChIKeyPUSNVOHOFPQULI-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
CID 114469770
6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
6-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 114469768
6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
CID 116645570
1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901725
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione (CID 114469767) is 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione is C=C(C)COCCN1C(=O)C(CC(C)C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is PUSNVOHOFPQULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-6-14-15(19)17-13(9-11(2)3)16(20)18(14)7-8-21-10-12(4)5/h11,13-14H,4,6-10H2,1-3,5H3,(H,17,19).
What are the key properties of 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione?
6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 114469767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).