3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione

C16H18FN3O3 — CID 2997104

IUPAC3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCN(C(=O)c3cccc(F)c3)CC2)C(=O)N1
InChIInChI=1S/C16H18FN3O3/c17-11-3-1-2-10(8-11)16(23)20-6-4-12(5-7-20)18-13-9-14(21)19-15(13)22/h1-3,8,12-13,18H,4-7,9H2,(H,19,21,22)
InChIKeyMWDAPWSUFRBMCK-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.44
Rot. Bonds3

About 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione

3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione (PubChem CID 2997104) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
PubChem CID2997104
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCN(C(=O)c3cccc(F)c3)CC2)C(=O)N1
InChIInChI=1S/C16H18FN3O3/c17-11-3-1-2-10(8-11)16(23)20-6-4-12(5-7-20)18-13-9-14(21)19-15(13)22/h1-3,8,12-13,18H,4-7,9H2,(H,19,21,22)
InChIKeyMWDAPWSUFRBMCK-UHFFFAOYSA-N
XLogP0.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
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 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione (CID 2997104) is 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione is O=C1CC(NC2CCN(C(=O)c3cccc(F)c3)CC2)C(=O)N1.
What is the InChIKey of 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The InChIKey is MWDAPWSUFRBMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-11-3-1-2-10(8-11)16(23)20-6-4-12(5-7-20)18-13-9-14(21)19-15(13)22/h1-3,8,12-13,18H,4-7,9H2,(H,19,21,22).
What are the key properties of 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 319.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2997104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).