1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione

C12H18N2O3 — CID 79570180

IUPAC1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione
SMILESCN1CCN(CCC2CCCC2=O)C(=O)C1=O
InChIInChI=1S/C12H18N2O3/c1-13-7-8-14(12(17)11(13)16)6-5-9-3-2-4-10(9)15/h9H,2-8H2,1H3
InChIKeySQVLBKIRIYHQEQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.05
Rot. Bonds3

About 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione

1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione (PubChem CID 79570180) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione
PubChem CID79570180
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione
SMILESCN1CCN(CCC2CCCC2=O)C(=O)C1=O
InChIInChI=1S/C12H18N2O3/c1-13-7-8-14(12(17)11(13)16)6-5-9-3-2-4-10(9)15/h9H,2-8H2,1H3
InChIKeySQVLBKIRIYHQEQ-UHFFFAOYSA-N
XLogP0.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione (CID 79570180) is 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione is CN1CCN(CCC2CCCC2=O)C(=O)C1=O.
What is the InChIKey of 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione?
The InChIKey is SQVLBKIRIYHQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-7-8-14(12(17)11(13)16)6-5-9-3-2-4-10(9)15/h9H,2-8H2,1H3.
What are the key properties of 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione?
1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione has a molecular weight of 238.29 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione is sourced from PubChem (CID 79570180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).