1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione

C16H20N2O3 — CID 43826833

IUPAC1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN(C2CC(=O)N(c3ccc(O)cc3)C2=O)CC1
InChIInChI=1S/C16H20N2O3/c1-11-6-8-17(9-7-11)14-10-15(20)18(16(14)21)12-2-4-13(19)5-3-12/h2-5,11,14,19H,6-10H2,1H3
InChIKeyZQGIDHIKRNNKFP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds2

About 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione

1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 43826833) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID43826833
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN(C2CC(=O)N(c3ccc(O)cc3)C2=O)CC1
InChIInChI=1S/C16H20N2O3/c1-11-6-8-17(9-7-11)14-10-15(20)18(16(14)21)12-2-4-13(19)5-3-12/h2-5,11,14,19H,6-10H2,1H3
InChIKeyZQGIDHIKRNNKFP-UHFFFAOYSA-N
XLogP1.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
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 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 43826833) is 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is CC1CCN(C2CC(=O)N(c3ccc(O)cc3)C2=O)CC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is ZQGIDHIKRNNKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-6-8-17(9-7-11)14-10-15(20)18(16(14)21)12-2-4-13(19)5-3-12/h2-5,11,14,19H,6-10H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43826833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).