1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione

C15H26N2O3 — CID 106409840

IUPAC1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESC=CCCOCCN1C(=O)C(CC)NC(=O)C1C(C)C
InChIInChI=1S/C15H26N2O3/c1-5-7-9-20-10-8-17-13(11(3)4)14(18)16-12(6-2)15(17)19/h5,11-13H,1,6-10H2,2-4H3,(H,16,18)
InChIKeyPEURXACIHKBWNU-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.34
Rot. Bonds8

About 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione

1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106409840) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID106409840
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESC=CCCOCCN1C(=O)C(CC)NC(=O)C1C(C)C
InChIInChI=1S/C15H26N2O3/c1-5-7-9-20-10-8-17-13(11(3)4)14(18)16-12(6-2)15(17)19/h5,11-13H,1,6-10H2,2-4H3,(H,16,18)
InChIKeyPEURXACIHKBWNU-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.34
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

1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409860
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
3-(2-methylpropyl)-6-propan-2-yl-1-(2-prop-2-enylsulfanylethyl)piperazine-2,5-dione
CID 106432930

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione (CID 106409840) is 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione is C=CCCOCCN1C(=O)C(CC)NC(=O)C1C(C)C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PEURXACIHKBWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-7-9-20-10-8-17-13(11(3)4)14(18)16-12(6-2)15(17)19/h5,11-13H,1,6-10H2,2-4H3,(H,16,18).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106409840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).