1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione

C17H32N2O2 — CID 64900959

IUPAC1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
SMILESCCCCCCN1C(=O)C(CC(C)C)NC(=O)C1CCC
InChIInChI=1S/C17H32N2O2/c1-5-7-8-9-11-19-15(10-6-2)16(20)18-14(17(19)21)12-13(3)4/h13-15H,5-12H2,1-4H3,(H,18,20)
InChIKeyVHPHJQOGRQDSNL-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.11
Rot. Bonds9

About 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione

1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione (PubChem CID 64900959) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
PubChem CID64900959
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
SMILESCCCCCCN1C(=O)C(CC(C)C)NC(=O)C1CCC
InChIInChI=1S/C17H32N2O2/c1-5-7-8-9-11-19-15(10-6-2)16(20)18-14(17(19)21)12-13(3)4/h13-15H,5-12H2,1-4H3,(H,18,20)
InChIKeyVHPHJQOGRQDSNL-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.11
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-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64901911
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 107902164
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
CID 64901503

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione (CID 64900959) is 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione is CCCCCCN1C(=O)C(CC(C)C)NC(=O)C1CCC.
What is the InChIKey of 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The InChIKey is VHPHJQOGRQDSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-7-8-9-11-19-15(10-6-2)16(20)18-14(17(19)21)12-13(3)4/h13-15H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64900959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).