1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione

C14H26N2O2 — CID 64879394

IUPAC1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCCCCCN1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-4-5-6-7-8-16-10-13(17)15-12(14(16)18)9-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyCRVFHMSTCBUXKP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds7

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

1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64879394) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64879394
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCCCCCN1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-4-5-6-7-8-16-10-13(17)15-12(14(16)18)9-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyCRVFHMSTCBUXKP-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
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

3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
1-[(3-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107415635
1-(2-ethoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 114944458
3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878643
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64968689
3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880154

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64879394) is 1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione is CCCCCCN1CC(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is CRVFHMSTCBUXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-5-6-7-8-16-10-13(17)15-12(14(16)18)9-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 7 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)piperazine-2,5-dione is sourced from PubChem (CID 64879394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).