1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione

C24H31FN2O2 — CID 110543993

IUPAC1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCC1CCCN(C2=C(c3ccc(F)cc3)C(=O)N(C3CCCCCCC3)C2=O)C1
InChIInChI=1S/C24H31FN2O2/c1-17-8-7-15-26(16-17)22-21(18-11-13-19(25)14-12-18)23(28)27(24(22)29)20-9-5-3-2-4-6-10-20/h11-14,17,20H,2-10,15-16H2,1H3
InChIKeyHMODMSJOXHGCBZ-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.75
Rot. Bonds3

About 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione

1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 110543993) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID110543993
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Name1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCC1CCCN(C2=C(c3ccc(F)cc3)C(=O)N(C3CCCCCCC3)C2=O)C1
InChIInChI=1S/C24H31FN2O2/c1-17-8-7-15-26(16-17)22-21(18-11-13-19(25)14-12-18)23(28)27(24(22)29)20-9-5-3-2-4-6-10-20/h11-14,17,20H,2-10,15-16H2,1H3
InChIKeyHMODMSJOXHGCBZ-UHFFFAOYSA-N
XLogP4.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.75
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-(4-chlorophenyl)-1-cyclohexyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569781
1-cycloheptyl-3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110543967
1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572638
1-cycloheptyl-3-(3,4-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110564302
3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110543076
1-cyclohexyl-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110543928
1-(4-ethylphenyl)-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110544948
1-cycloheptyl-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572643
3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110549706
1-(2,5-difluorophenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574740
3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
1-cyclohexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556472

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 110543993) is 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is CC1CCCN(C2=C(c3ccc(F)cc3)C(=O)N(C3CCCCCCC3)C2=O)C1.
What is the InChIKey of 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is HMODMSJOXHGCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-17-8-7-15-26(16-17)22-21(18-11-13-19(25)14-12-18)23(28)27(24(22)29)20-9-5-3-2-4-6-10-20/h11-14,17,20H,2-10,15-16H2,1H3.
What are the key properties of 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 398.52 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110543993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).