1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione

C12H18N2O2 — CID 61480337

IUPAC1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione
SMILESCCN1CCCC(N2C(=O)C=C(C)C2=O)C1
InChIInChI=1S/C12H18N2O2/c1-3-13-6-4-5-10(8-13)14-11(15)7-9(2)12(14)16/h7,10H,3-6,8H2,1-2H3
InChIKeyQZVLPKGIKAQCAL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.79
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione

1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione (PubChem CID 61480337) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione
PubChem CID61480337
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione
SMILESCCN1CCCC(N2C(=O)C=C(C)C2=O)C1
InChIInChI=1S/C12H18N2O2/c1-3-13-6-4-5-10(8-13)14-11(15)7-9(2)12(14)16/h7,10H,3-6,8H2,1-2H3
InChIKeyQZVLPKGIKAQCAL-UHFFFAOYSA-N
XLogP0.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.79
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-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione (CID 61480337) is 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione is CCN1CCCC(N2C(=O)C=C(C)C2=O)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione?
The InChIKey is QZVLPKGIKAQCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13-6-4-5-10(8-13)14-11(15)7-9(2)12(14)16/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione?
1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione has a molecular weight of 222.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 61480337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).