3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione

C15H28N2O2 — CID 64901650

IUPAC3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(CC)NC(=O)C1CC(C)C
InChIInChI=1S/C15H28N2O2/c1-5-7-8-9-17-13(10-11(3)4)14(18)16-12(6-2)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyJQZBDJWSTIEYPJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds7

About 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione

3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione (PubChem CID 64901650) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
PubChem CID64901650
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(CC)NC(=O)C1CC(C)C
InChIInChI=1S/C15H28N2O2/c1-5-7-8-9-17-13(10-11(3)4)14(18)16-12(6-2)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyJQZBDJWSTIEYPJ-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260459
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64903189
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione (CID 64901650) is 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione is CCCCCN1C(=O)C(CC)NC(=O)C1CC(C)C.
What is the InChIKey of 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione?
The InChIKey is JQZBDJWSTIEYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-7-8-9-17-13(10-11(3)4)14(18)16-12(6-2)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione?
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione is sourced from PubChem (CID 64901650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).