3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione

C24H25FN2O2 — CID 110578842

IUPAC3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCCC3)C(=O)N(Cc3ccc(F)cc3)C2=O)c(C)c1
InChIInChI=1S/C24H25FN2O2/c1-16-6-11-20(17(2)14-16)21-22(26-12-4-3-5-13-26)24(29)27(23(21)28)15-18-7-9-19(25)10-8-18/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyKUVGSWOBQYDQIQ-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.21
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione

3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110578842) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110578842
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCCC3)C(=O)N(Cc3ccc(F)cc3)C2=O)c(C)c1
InChIInChI=1S/C24H25FN2O2/c1-16-6-11-20(17(2)14-16)21-22(26-12-4-3-5-13-26)24(29)27(23(21)28)15-18-7-9-19(25)10-8-18/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyKUVGSWOBQYDQIQ-UHFFFAOYSA-N
XLogP4.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578849
3-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110549212
3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110578158
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110578103
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110578104
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110578193
3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione
CID 110578906
3-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578908
1-(3,4-difluorophenyl)-3-(2,4-dimethylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110580440
3-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110578488
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110543387
3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110578910

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione (CID 110578842) is 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione is Cc1ccc(C2=C(N3CCCCC3)C(=O)N(Cc3ccc(F)cc3)C2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is KUVGSWOBQYDQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-16-6-11-20(17(2)14-16)21-22(26-12-4-3-5-13-26)24(29)27(23(21)28)15-18-7-9-19(25)10-8-18/h6-11,14H,3-5,12-13,15H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 392.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110578842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).