2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione

C15H20N2O4 — CID 574443

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
SMILESO=C1CCC2C(=O)N(CC(=O)N3CCCCC3)C(=O)C2C1
InChIInChI=1S/C15H20N2O4/c18-10-4-5-11-12(8-10)15(21)17(14(11)20)9-13(19)16-6-2-1-3-7-16/h11-12H,1-9H2
InChIKeyYQAWLSICKQKWLR-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.35
Rot. Bonds2

About 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione

2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione (PubChem CID 574443) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
PubChem CID574443
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
SMILESO=C1CCC2C(=O)N(CC(=O)N3CCCCC3)C(=O)C2C1
InChIInChI=1S/C15H20N2O4/c18-10-4-5-11-12(8-10)15(21)17(14(11)20)9-13(19)16-6-2-1-3-7-16/h11-12H,1-9H2
InChIKeyYQAWLSICKQKWLR-UHFFFAOYSA-N
XLogP0.35
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione (CID 574443) is 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione is O=C1CCC2C(=O)N(CC(=O)N3CCCCC3)C(=O)C2C1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione?
The InChIKey is YQAWLSICKQKWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-10-4-5-11-12(8-10)15(21)17(14(11)20)9-13(19)16-6-2-1-3-7-16/h11-12H,1-9H2.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione?
2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione has a molecular weight of 292.34 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione is sourced from PubChem (CID 574443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).