3,6-bis(4-aminobutyl)piperazine-2,5-dione

C12H24N4O2 — CID 3934102

IUPAC3,6-bis(4-aminobutyl)piperazine-2,5-dione
SMILESNCCCCC1NC(=O)C(CCCCN)NC1=O
InChIInChI=1S/C12H24N4O2/c13-7-3-1-5-9-11(17)16-10(12(18)15-9)6-2-4-8-14/h9-10H,1-8,13-14H2,(H,15,18)(H,16,17)
InChIKeyNUYHTXOPSQBZKC-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.77
Rot. Bonds8

About 3,6-bis(4-aminobutyl)piperazine-2,5-dione

3,6-bis(4-aminobutyl)piperazine-2,5-dione (PubChem CID 3934102) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,6-bis(4-aminobutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis(4-aminobutyl)piperazine-2,5-dione
PubChem CID3934102
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3,6-bis(4-aminobutyl)piperazine-2,5-dione
SMILESNCCCCC1NC(=O)C(CCCCN)NC1=O
InChIInChI=1S/C12H24N4O2/c13-7-3-1-5-9-11(17)16-10(12(18)15-9)6-2-4-8-14/h9-10H,1-8,13-14H2,(H,15,18)(H,16,17)
InChIKeyNUYHTXOPSQBZKC-UHFFFAOYSA-N
XLogP-0.77
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3,6-bis(4-aminobutyl)piperazine-2,5-dione?
The IUPAC name of 3,6-bis(4-aminobutyl)piperazine-2,5-dione (CID 3934102) is 3,6-bis(4-aminobutyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-bis(4-aminobutyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-bis(4-aminobutyl)piperazine-2,5-dione is NCCCCC1NC(=O)C(CCCCN)NC1=O.
What is the InChIKey of 3,6-bis(4-aminobutyl)piperazine-2,5-dione?
The InChIKey is NUYHTXOPSQBZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c13-7-3-1-5-9-11(17)16-10(12(18)15-9)6-2-4-8-14/h9-10H,1-8,13-14H2,(H,15,18)(H,16,17).
What are the key properties of 3,6-bis(4-aminobutyl)piperazine-2,5-dione?
3,6-bis(4-aminobutyl)piperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of -0.77, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-aminobutyl)piperazine-2,5-dione is sourced from PubChem (CID 3934102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).