1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione

C16H28N2O3 — CID 106409860

IUPAC1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESC=CCCOCCN1C(=O)C(CCC)NC(=O)C1C(C)C
InChIInChI=1S/C16H28N2O3/c1-5-7-10-21-11-9-18-14(12(3)4)15(19)17-13(8-6-2)16(18)20/h5,12-14H,1,6-11H2,2-4H3,(H,17,19)
InChIKeyOHODMGARZJRRFZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds9

About 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione

1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 106409860) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID106409860
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESC=CCCOCCN1C(=O)C(CCC)NC(=O)C1C(C)C
InChIInChI=1S/C16H28N2O3/c1-5-7-10-21-11-9-18-14(12(3)4)15(19)17-13(8-6-2)16(18)20/h5,12-14H,1,6-11H2,2-4H3,(H,17,19)
InChIKeyOHODMGARZJRRFZ-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 106409840
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
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
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765
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
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
3-(2-butoxyethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83253671
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 106409860) is 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is C=CCCOCCN1C(=O)C(CCC)NC(=O)C1C(C)C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is OHODMGARZJRRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-7-10-21-11-9-18-14(12(3)4)15(19)17-13(8-6-2)16(18)20/h5,12-14H,1,6-11H2,2-4H3,(H,17,19).
What are the key properties of 1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.73, 9 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)-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 106409860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).