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

C15H18N2O2 — CID 106821036

IUPAC3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CCN(c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C15H18N2O2/c18-14-10-13(15(19)16-14)11-6-8-17(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,18,19)
InChIKeyHIEWUWZABGLASP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.57
Rot. Bonds2

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

3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 106821036) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID106821036
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CCN(c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C15H18N2O2/c18-14-10-13(15(19)16-14)11-6-8-17(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,18,19)
InChIKeyHIEWUWZABGLASP-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.57
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-phenylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 106821036) is 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione is O=C1CC(C2CCN(c3ccccc3)CC2)C(=O)N1.
What is the InChIKey of 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is HIEWUWZABGLASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-10-13(15(19)16-14)11-6-8-17(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,18,19).
What are the key properties of 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106821036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).