(6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione

C11H16N2O3 — CID 169246554

IUPAC(6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione
SMILESCCCC/C=C1/C(=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)/b9-6-
InChIKeySDILUEWBVWMGLW-TWGQIWQCSA-N
MW224.26 g/mol
LogP0.57
Rot. Bonds3

About (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione

(6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione (PubChem CID 169246554) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione
PubChem CID169246554
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione
SMILESCCCC/C=C1/C(=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)/b9-6-
InChIKeySDILUEWBVWMGLW-TWGQIWQCSA-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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Related Compounds

(3Z,6Z)-3-hexylidene-6-propylidenepiperazine-2,5-dione
CID 44384077
(3Z,6Z)-3-ethylidene-6-hexylidenepiperazine-2,5-dione
CID 44384520
(3Z,6Z)-3,6-di(hexylidene)piperazine-2,5-dione
CID 44385240
Lansai E
CID 146682899
2H-Azepin-2-one, 1,5,6,7-tetrahydro-3-(1-piperidinyl)-
CID 11321492
2(1H)-Pyridinone, 5,6-dihydro-3-(1-piperidinyl)-
CID 12228553
(3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione
CID 171479083
1-Acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione
CID 175565481
1-Acetyl-3-eth-(Z)-ylidene-piperazine-2,5-dione
CID 15176645
(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione
CID 15914219
(4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 102158009
(3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione
CID 102290198

Frequently Asked Questions

What is the IUPAC name of (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione?
The IUPAC name of (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione (CID 169246554) is (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione.
What is the SMILES notation for (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione?
The canonical SMILES for (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione is CCCC/C=C1/C(=O)NCC(=O)N1C(C)=O.
What is the InChIKey of (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione?
The InChIKey is SDILUEWBVWMGLW-TWGQIWQCSA-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)/b9-6-.
What are the key properties of (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione?
(6Z)-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 (6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione is sourced from PubChem (CID 169246554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).