1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione

C11H16N2O2 — CID 57289061

IUPAC1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN1CCCCC1
InChIInChI=1S/C11H16N2O2/c14-10-4-5-11(15)13(10)9-8-12-6-2-1-3-7-12/h4-5H,1-3,6-9H2
InChIKeyZDBUWRVSBBUGPX-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.40
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione

1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione (PubChem CID 57289061) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione
PubChem CID57289061
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN1CCCCC1
InChIInChI=1S/C11H16N2O2/c14-10-4-5-11(15)13(10)9-8-12-6-2-1-3-7-12/h4-5H,1-3,6-9H2
InChIKeyZDBUWRVSBBUGPX-UHFFFAOYSA-N
XLogP0.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione (CID 57289061) is 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione?
The InChIKey is ZDBUWRVSBBUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-4-5-11(15)13(10)9-8-12-6-2-1-3-7-12/h4-5H,1-3,6-9H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione?
1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione has a molecular weight of 208.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 57289061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).