1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione

C19H20FN5O2 — CID 2997082

IUPAC1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O2/c20-13-2-4-15(5-3-13)25-17(26)12-16(18(25)27)23-14-6-10-24(11-7-14)19-21-8-1-9-22-19/h1-5,8-9,14,16,23H,6-7,10-12H2
InChIKeyKJMMVXZTXUOYLF-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.51
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione (PubChem CID 2997082) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
PubChem CID2997082
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O2/c20-13-2-4-15(5-3-13)25-17(26)12-16(18(25)27)23-14-6-10-24(11-7-14)19-21-8-1-9-22-19/h1-5,8-9,14,16,23H,6-7,10-12H2
InChIKeyKJMMVXZTXUOYLF-UHFFFAOYSA-N
XLogP1.51
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione (CID 2997082) is 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione is O=C1CC(NC2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is KJMMVXZTXUOYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-13-2-4-15(5-3-13)25-17(26)12-16(18(25)27)23-14-6-10-24(11-7-14)19-21-8-1-9-22-19/h1-5,8-9,14,16,23H,6-7,10-12H2.
What are the key properties of 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 369.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2997082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).