1-acetyl-6-pentylidenepiperazine-2,5-dione

C11H16N2O3 — CID 174143411

IUPAC1-acetyl-6-pentylidenepiperazine-2,5-dione
SMILESCCCCC=C1C(=O)NCC(=O)N1C(C)=O
InChIInChI=1S/C11H16N2O3/c1-3-4-5-6-9-11(16)12-7-10(15)13(9)8(2)14/h6H,3-5,7H2,1-2H3,(H,12,16)
InChIKeySDILUEWBVWMGLW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.57
Rot. Bonds3

About 1-acetyl-6-pentylidenepiperazine-2,5-dione

1-acetyl-6-pentylidenepiperazine-2,5-dione (PubChem CID 174143411) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-acetyl-6-pentylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name1-acetyl-6-pentylidenepiperazine-2,5-dione
PubChem CID174143411
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-acetyl-6-pentylidenepiperazine-2,5-dione
SMILESCCCCC=C1C(=O)NCC(=O)N1C(C)=O
InChIInChI=1S/C11H16N2O3/c1-3-4-5-6-9-11(16)12-7-10(15)13(9)8(2)14/h6H,3-5,7H2,1-2H3,(H,12,16)
InChIKeySDILUEWBVWMGLW-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-pentylidenepiperazine-2,5-dione?
The IUPAC name of 1-acetyl-6-pentylidenepiperazine-2,5-dione (CID 174143411) is 1-acetyl-6-pentylidenepiperazine-2,5-dione.
What is the SMILES notation for 1-acetyl-6-pentylidenepiperazine-2,5-dione?
The canonical SMILES for 1-acetyl-6-pentylidenepiperazine-2,5-dione is CCCCC=C1C(=O)NCC(=O)N1C(C)=O.
What is the InChIKey of 1-acetyl-6-pentylidenepiperazine-2,5-dione?
The InChIKey is SDILUEWBVWMGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-4-5-6-9-11(16)12-7-10(15)13(9)8(2)14/h6H,3-5,7H2,1-2H3,(H,12,16).
What are the key properties of 1-acetyl-6-pentylidenepiperazine-2,5-dione?
1-acetyl-6-pentylidenepiperazine-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-pentylidenepiperazine-2,5-dione is sourced from PubChem (CID 174143411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).