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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Related Compounds

CID 5426
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CID 92142
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CID 91585
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CID 40598
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CID 75792
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CID 118120
CID 118120
CID 5494422
CID 5494422
CID 135339
CID 135339
CID 11859051
CID 11859051
CID 70876201
CID 70876201
CID 10178009
CID 10178009
CID 11604454
CID 11604454

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).