3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione

C23H24N2O2 — CID 162355573

IUPAC3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione
SMILESCc1cc(C)cc(N2CCCCC2C2=CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C23H24N2O2/c1-16-12-17(2)14-19(13-16)24-11-7-6-10-21(24)20-15-22(26)25(23(20)27)18-8-4-3-5-9-18/h3-5,8-9,12-15,21H,6-7,10-11H2,1-2H3
InChIKeyPEPNDLPPWQFXOM-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.16
Rot. Bonds3

About 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione

3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione (PubChem CID 162355573) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione
PubChem CID162355573
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione
SMILESCc1cc(C)cc(N2CCCCC2C2=CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C23H24N2O2/c1-16-12-17(2)14-19(13-16)24-11-7-6-10-21(24)20-15-22(26)25(23(20)27)18-8-4-3-5-9-18/h3-5,8-9,12-15,21H,6-7,10-11H2,1-2H3
InChIKeyPEPNDLPPWQFXOM-UHFFFAOYSA-N
XLogP4.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.16
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-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione (CID 162355573) is 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione is Cc1cc(C)cc(N2CCCCC2C2=CC(=O)N(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione?
The InChIKey is PEPNDLPPWQFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-12-17(2)14-19(13-16)24-11-7-6-10-21(24)20-15-22(26)25(23(20)27)18-8-4-3-5-9-18/h3-5,8-9,12-15,21H,6-7,10-11H2,1-2H3.
What are the key properties of 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione?
3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione has a molecular weight of 360.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethylphenyl)piperidin-2-yl]-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 162355573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).