1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione

C27H24FN3O2 — CID 3644671

IUPAC1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(C(=O)N1CN1CCN(c3ccc(F)cc3)CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C27H24FN3O2/c28-19-9-11-20(12-10-19)30-15-13-29(14-16-30)18-31-25(32)17-27(26(31)33)23-7-3-1-5-21(23)22-6-2-4-8-24(22)27/h1-12H,13-18H2
InChIKeyCHNPABOQKWZLBN-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.63
Rot. Bonds3

About 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione

1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione (PubChem CID 3644671) has the molecular formula C27H24FN3O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione
PubChem CID3644671
Molecular FormulaC27H24FN3O2
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC Name1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(C(=O)N1CN1CCN(c3ccc(F)cc3)CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C27H24FN3O2/c28-19-9-11-20(12-10-19)30-15-13-29(14-16-30)18-31-25(32)17-27(26(31)33)23-7-3-1-5-21(23)22-6-2-4-8-24(22)27/h1-12H,13-18H2
InChIKeyCHNPABOQKWZLBN-UHFFFAOYSA-N
XLogP3.63
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
CID 71531777
1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
CID 71531907
(2S,4R)-1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 7119312
3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
CID 1239300
3-(3-chlorophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
CID 1281804
5-bromo-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 3658866
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 2302169
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one
CID 78791442
3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4877532
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-nitroindole-2,3-dione
CID 3658867
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,4-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one
CID 90160277

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione (CID 3644671) is 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione is O=C1CC2(C(=O)N1CN1CCN(c3ccc(F)cc3)CC1)c1ccccc1-c1ccccc12.
What is the InChIKey of 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione?
The InChIKey is CHNPABOQKWZLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O2/c28-19-9-11-20(12-10-19)30-15-13-29(14-16-30)18-31-25(32)17-27(26(31)33)23-7-3-1-5-21(23)22-6-2-4-8-24(22)27/h1-12H,13-18H2.
What are the key properties of 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione?
1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione has a molecular weight of 441.51 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 3644671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).