3-(3-fluoropropylamino)piperidine-2,6-dione

C8H13FN2O2 — CID 81107323

IUPAC3-(3-fluoropropylamino)piperidine-2,6-dione
SMILESO=C1CCC(NCCCF)C(=O)N1
InChIInChI=1S/C8H13FN2O2/c9-4-1-5-10-6-2-3-7(12)11-8(6)13/h6,10H,1-5H2,(H,11,12,13)
InChIKeyCHCTUMLPTBMZAK-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.26
Rot. Bonds4

About 3-(3-fluoropropylamino)piperidine-2,6-dione

3-(3-fluoropropylamino)piperidine-2,6-dione (PubChem CID 81107323) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 3-(3-fluoropropylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-fluoropropylamino)piperidine-2,6-dione
PubChem CID81107323
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name3-(3-fluoropropylamino)piperidine-2,6-dione
SMILESO=C1CCC(NCCCF)C(=O)N1
InChIInChI=1S/C8H13FN2O2/c9-4-1-5-10-6-2-3-7(12)11-8(6)13/h6,10H,1-5H2,(H,11,12,13)
InChIKeyCHCTUMLPTBMZAK-UHFFFAOYSA-N
XLogP-0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-fluoropropylamino)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylamino)piperidine-2,6-dione?
The IUPAC name of 3-(3-fluoropropylamino)piperidine-2,6-dione (CID 81107323) is 3-(3-fluoropropylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-fluoropropylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(3-fluoropropylamino)piperidine-2,6-dione is O=C1CCC(NCCCF)C(=O)N1.
What is the InChIKey of 3-(3-fluoropropylamino)piperidine-2,6-dione?
The InChIKey is CHCTUMLPTBMZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c9-4-1-5-10-6-2-3-7(12)11-8(6)13/h6,10H,1-5H2,(H,11,12,13).
What are the key properties of 3-(3-fluoropropylamino)piperidine-2,6-dione?
3-(3-fluoropropylamino)piperidine-2,6-dione has a molecular weight of 188.20 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylamino)piperidine-2,6-dione is sourced from PubChem (CID 81107323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).