3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione

C11H16N2O2 — CID 19877894

IUPAC3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione
SMILESCC(C1=CC(=O)NC1=O)N1CCCCC1
InChIInChI=1S/C11H16N2O2/c1-8(13-5-3-2-4-6-13)9-7-10(14)12-11(9)15/h7-8H,2-6H2,1H3,(H,12,14,15)
InChIKeyRHDGALBWDZEUJB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.44
Rot. Bonds2

About 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione

3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione (PubChem CID 19877894) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione
PubChem CID19877894
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione
SMILESCC(C1=CC(=O)NC1=O)N1CCCCC1
InChIInChI=1S/C11H16N2O2/c1-8(13-5-3-2-4-6-13)9-7-10(14)12-11(9)15/h7-8H,2-6H2,1H3,(H,12,14,15)
InChIKeyRHDGALBWDZEUJB-UHFFFAOYSA-N
XLogP0.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
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 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione (CID 19877894) is 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione is CC(C1=CC(=O)NC1=O)N1CCCCC1.
What is the InChIKey of 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione?
The InChIKey is RHDGALBWDZEUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(13-5-3-2-4-6-13)9-7-10(14)12-11(9)15/h7-8H,2-6H2,1H3,(H,12,14,15).
What are the key properties of 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione?
3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione has a molecular weight of 208.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-1-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 19877894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).