2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C15H20N2O3 — CID 4154919

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESO=C(CN1C(=O)C2CC=CCC2C1=O)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-13(16-8-4-1-5-9-16)10-17-14(19)11-6-2-3-7-12(11)15(17)20/h2-3,11-12H,1,4-10H2
InChIKeyVLOQFVLEESKUHQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.95
Rot. Bonds2

About 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (PubChem CID 4154919) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
PubChem CID4154919
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESO=C(CN1C(=O)C2CC=CCC2C1=O)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-13(16-8-4-1-5-9-16)10-17-14(19)11-6-2-3-7-12(11)15(17)20/h2-3,11-12H,1,4-10H2
InChIKeyVLOQFVLEESKUHQ-UHFFFAOYSA-N
XLogP0.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CID 4154919) is 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is O=C(CN1C(=O)C2CC=CCC2C1=O)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The InChIKey is VLOQFVLEESKUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13(16-8-4-1-5-9-16)10-17-14(19)11-6-2-3-7-12(11)15(17)20/h2-3,11-12H,1,4-10H2.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione has a molecular weight of 276.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 4154919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).