6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione

C15H26N2O2 — CID 64902231

IUPAC6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
SMILESCCCCCCN1C(=O)C(CC)NC(=O)C1C1CC1
InChIInChI=1S/C15H26N2O2/c1-3-5-6-7-10-17-13(11-8-9-11)14(18)16-12(4-2)15(17)19/h11-13H,3-10H2,1-2H3,(H,16,18)
InChIKeyHBOIITUXTZUMIQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds7

About 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione

6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione (PubChem CID 64902231) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
PubChem CID64902231
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
SMILESCCCCCCN1C(=O)C(CC)NC(=O)C1C1CC1
InChIInChI=1S/C15H26N2O2/c1-3-5-6-7-10-17-13(11-8-9-11)14(18)16-12(4-2)15(17)19/h11-13H,3-10H2,1-2H3,(H,16,18)
InChIKeyHBOIITUXTZUMIQ-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
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

6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903765
6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874181
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
6-cyclopropyl-3-ethyl-1-methylpiperazine-2,5-dione
CID 64903767
1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 114013981
6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
CID 64901093
6-cyclopropyl-1-(2-methoxyethyl)-3-propylpiperazine-2,5-dione
CID 64873961
6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 113474625
6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
CID 114532475
6-cyclopropyl-3-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888826

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione (CID 64902231) is 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione is CCCCCCN1C(=O)C(CC)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione?
The InChIKey is HBOIITUXTZUMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-5-6-7-10-17-13(11-8-9-11)14(18)16-12(4-2)15(17)19/h11-13H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione?
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione is sourced from PubChem (CID 64902231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).