3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione

C15H15ClN2O2 — CID 779239

IUPAC3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-12-13(17-9-5-2-6-10-17)15(20)18(14(12)19)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyBOKAMRVZGYREMZ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.50
Rot. Bonds2

About 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione

3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 779239) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID779239
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-12-13(17-9-5-2-6-10-17)15(20)18(14(12)19)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyBOKAMRVZGYREMZ-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.50
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 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione (CID 779239) is 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione is O=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is BOKAMRVZGYREMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-13(17-9-5-2-6-10-17)15(20)18(14(12)19)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 290.75 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 779239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).