1-(4-aminobutyl)piperazine-2,5-dione

C8H15N3O2 — CID 54292363

IUPAC1-(4-aminobutyl)piperazine-2,5-dione
SMILESNCCCCN1CC(=O)NCC1=O
InChIInChI=1S/C8H15N3O2/c9-3-1-2-4-11-6-7(12)10-5-8(11)13/h1-6,9H2,(H,10,12)
InChIKeyRYKBKCXCWRUJTE-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.32
Rot. Bonds4

About 1-(4-aminobutyl)piperazine-2,5-dione

1-(4-aminobutyl)piperazine-2,5-dione (PubChem CID 54292363) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(4-aminobutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-aminobutyl)piperazine-2,5-dione
PubChem CID54292363
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-(4-aminobutyl)piperazine-2,5-dione
SMILESNCCCCN1CC(=O)NCC1=O
InChIInChI=1S/C8H15N3O2/c9-3-1-2-4-11-6-7(12)10-5-8(11)13/h1-6,9H2,(H,10,12)
InChIKeyRYKBKCXCWRUJTE-UHFFFAOYSA-N
XLogP-1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)piperazine-2,5-dione?
The IUPAC name of 1-(4-aminobutyl)piperazine-2,5-dione (CID 54292363) is 1-(4-aminobutyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(4-aminobutyl)piperazine-2,5-dione?
The canonical SMILES for 1-(4-aminobutyl)piperazine-2,5-dione is NCCCCN1CC(=O)NCC1=O.
What is the InChIKey of 1-(4-aminobutyl)piperazine-2,5-dione?
The InChIKey is RYKBKCXCWRUJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-3-1-2-4-11-6-7(12)10-5-8(11)13/h1-6,9H2,(H,10,12).
What are the key properties of 1-(4-aminobutyl)piperazine-2,5-dione?
1-(4-aminobutyl)piperazine-2,5-dione has a molecular weight of 185.23 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)piperazine-2,5-dione is sourced from PubChem (CID 54292363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).