1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione

C25H35FN2O2 — CID 110544258

IUPAC1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCCCC2)C1=O
InChIInChI=1S/C25H35FN2O2/c1-2-3-4-5-6-7-8-12-19-28-24(29)22(20-13-15-21(26)16-14-20)23(25(28)30)27-17-10-9-11-18-27/h13-16H,2-12,17-19H2,1H3
InChIKeyIVEYKBPGGUHYSX-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.53
Rot. Bonds11

About 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione

1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110544258) has the molecular formula C25H35FN2O2 and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110544258
Molecular FormulaC25H35FN2O2
Molecular Weight414.57 g/mol
Exact Mass414.27
IUPAC Name1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCCCC2)C1=O
InChIInChI=1S/C25H35FN2O2/c1-2-3-4-5-6-7-8-12-19-28-24(29)22(20-13-15-21(26)16-14-20)23(25(28)30)27-17-10-9-11-18-27/h13-16H,2-12,17-19H2,1H3
InChIKeyIVEYKBPGGUHYSX-UHFFFAOYSA-N
XLogP5.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-1-hexyl-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544231
1-decyl-3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544266
1-hexyl-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110572931
3-(4-fluorophenyl)-1-propyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110543715
1-hexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556756
1-hexyl-3-(4-nitrophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110541738
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-pentylpyrrole-2,5-dione
CID 110543640
1-octyl-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553714
1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110560078
1-hexyl-3-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110572943
1-[2-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110555785
1-(3-butoxypropyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110570148

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione (CID 110544258) is 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione is CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCCCC2)C1=O.
What is the InChIKey of 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is IVEYKBPGGUHYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O2/c1-2-3-4-5-6-7-8-12-19-28-24(29)22(20-13-15-21(26)16-14-20)23(25(28)30)27-17-10-9-11-18-27/h13-16H,2-12,17-19H2,1H3.
What are the key properties of 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 414.57 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110544258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).