3-butan-2-yl-1-pentylpiperazine-2,5-dione

C13H24N2O2 — CID 64881502

IUPAC3-butan-2-yl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1CC(=O)NC(C(C)CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-6-7-8-15-9-11(16)14-12(13(15)17)10(3)5-2/h10,12H,4-9H2,1-3H3,(H,14,16)
InChIKeyZWLMCXRDYFRRJF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds6

About 3-butan-2-yl-1-pentylpiperazine-2,5-dione

3-butan-2-yl-1-pentylpiperazine-2,5-dione (PubChem CID 64881502) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-butan-2-yl-1-pentylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-pentylpiperazine-2,5-dione
PubChem CID64881502
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-butan-2-yl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1CC(=O)NC(C(C)CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-6-7-8-15-9-11(16)14-12(13(15)17)10(3)5-2/h10,12H,4-9H2,1-3H3,(H,14,16)
InChIKeyZWLMCXRDYFRRJF-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
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-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881503
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-but-3-ynylpiperazine-2,5-dione
CID 64972451
3-butan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64881308
3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
CID 114516865
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391
3-butan-2-yl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327141
3-butan-2-yl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64878609
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970385

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-pentylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-pentylpiperazine-2,5-dione (CID 64881502) is 3-butan-2-yl-1-pentylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-pentylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-pentylpiperazine-2,5-dione is CCCCCN1CC(=O)NC(C(C)CC)C1=O.
What is the InChIKey of 3-butan-2-yl-1-pentylpiperazine-2,5-dione?
The InChIKey is ZWLMCXRDYFRRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-6-7-8-15-9-11(16)14-12(13(15)17)10(3)5-2/h10,12H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 3-butan-2-yl-1-pentylpiperazine-2,5-dione?
3-butan-2-yl-1-pentylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-pentylpiperazine-2,5-dione is sourced from PubChem (CID 64881502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).