1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C14H26N2O3 — CID 64959221

IUPAC1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(CC(C)C)NC(=O)C1C
InChIInChI=1S/C14H26N2O3/c1-5-19-8-6-7-16-11(4)13(17)15-12(14(16)18)9-10(2)3/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyMBZMJDJNIDNNMK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds7

About 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64959221) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64959221
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(CC(C)C)NC(=O)C1C
InChIInChI=1S/C14H26N2O3/c1-5-19-8-6-7-16-11(4)13(17)15-12(14(16)18)9-10(2)3/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyMBZMJDJNIDNNMK-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
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-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642
6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901725
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione
CID 106009140
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902495
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971117
3-(3-ethoxypropyl)-5-ethyl-2-methylimidazolidin-4-one
CID 83237626

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64959221) is 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CCOCCCN1C(=O)C(CC(C)C)NC(=O)C1C.
What is the InChIKey of 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is MBZMJDJNIDNNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-19-8-6-7-16-11(4)13(17)15-12(14(16)18)9-10(2)3/h10-12H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64959221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).