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

C15H28N2O3 — CID 64958653

IUPAC1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(CCCOCC)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-8-12-15(19)17(9-7-10-20-6-2)13(11(3)4)14(18)16-12/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyVKPHIRFWLXWFSO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.56
Rot. Bonds8

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

1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64958653) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64958653
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(CCCOCC)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-8-12-15(19)17(9-7-10-20-6-2)13(11(3)4)14(18)16-12/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyVKPHIRFWLXWFSO-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409860
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 65178143
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83237995
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409730
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64958653) is 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(CCCOCC)C1=O.
What is the InChIKey of 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is VKPHIRFWLXWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-8-12-15(19)17(9-7-10-20-6-2)13(11(3)4)14(18)16-12/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64958653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).