1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione

C23H25F2N3O2 — CID 5306086

IUPAC1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H25F2N3O2/c24-18-3-1-17(2-4-18)15-27-11-9-16(10-12-27)14-26-21-13-22(29)28(23(21)30)20-7-5-19(25)6-8-20/h1-8,16,21,26H,9-15H2
InChIKeySJBAWJOLLCFLJK-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.10
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione (PubChem CID 5306086) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
PubChem CID5306086
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H25F2N3O2/c24-18-3-1-17(2-4-18)15-27-11-9-16(10-12-27)14-26-21-13-22(29)28(23(21)30)20-7-5-19(25)6-8-20/h1-8,16,21,26H,9-15H2
InChIKeySJBAWJOLLCFLJK-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione (CID 5306086) is 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione is O=C1CC(NCC2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione?
The InChIKey is SJBAWJOLLCFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-18-3-1-17(2-4-18)15-27-11-9-16(10-12-27)14-26-21-13-22(29)28(23(21)30)20-7-5-19(25)6-8-20/h1-8,16,21,26H,9-15H2.
What are the key properties of 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione has a molecular weight of 413.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 5306086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).