1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione

C16H20N2O3 — CID 62017487

IUPAC1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione
SMILESCCN1CCN(CCCC(=O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C16H20N2O3/c1-2-17-11-12-18(16(21)15(17)20)10-6-9-14(19)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKeyURLZPIATEFHOFN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.34
Rot. Bonds6

About 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione

1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione (PubChem CID 62017487) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione
PubChem CID62017487
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione
SMILESCCN1CCN(CCCC(=O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C16H20N2O3/c1-2-17-11-12-18(16(21)15(17)20)10-6-9-14(19)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKeyURLZPIATEFHOFN-UHFFFAOYSA-N
XLogP1.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.34
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-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione (CID 62017487) is 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione is CCN1CCN(CCCC(=O)c2ccccc2)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione?
The InChIKey is URLZPIATEFHOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-17-11-12-18(16(21)15(17)20)10-6-9-14(19)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3.
What are the key properties of 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione?
1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione has a molecular weight of 288.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione is sourced from PubChem (CID 62017487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).