3-(3-fluoro-N-methylanilino)piperidine-2,6-dione

C12H13FN2O2 — CID 146573041

IUPAC3-(3-fluoro-N-methylanilino)piperidine-2,6-dione
SMILESCN(c1cccc(F)c1)C1CCC(=O)NC1=O
InChIInChI=1S/C12H13FN2O2/c1-15(9-4-2-3-8(13)7-9)10-5-6-11(16)14-12(10)17/h2-4,7,10H,5-6H2,1H3,(H,14,16,17)
InChIKeyHCKWXNLHPCYVEC-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.07
Rot. Bonds2

About 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione

3-(3-fluoro-N-methylanilino)piperidine-2,6-dione (PubChem CID 146573041) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-fluoro-N-methylanilino)piperidine-2,6-dione
PubChem CID146573041
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-(3-fluoro-N-methylanilino)piperidine-2,6-dione
SMILESCN(c1cccc(F)c1)C1CCC(=O)NC1=O
InChIInChI=1S/C12H13FN2O2/c1-15(9-4-2-3-8(13)7-9)10-5-6-11(16)14-12(10)17/h2-4,7,10H,5-6H2,1H3,(H,14,16,17)
InChIKeyHCKWXNLHPCYVEC-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-fluoro-N-methylanilino)piperidine-2,6-dione?
The IUPAC name of 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione (CID 146573041) is 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione is CN(c1cccc(F)c1)C1CCC(=O)NC1=O.
What is the InChIKey of 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione?
The InChIKey is HCKWXNLHPCYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-15(9-4-2-3-8(13)7-9)10-5-6-11(16)14-12(10)17/h2-4,7,10H,5-6H2,1H3,(H,14,16,17).
What are the key properties of 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione?
3-(3-fluoro-N-methylanilino)piperidine-2,6-dione has a molecular weight of 236.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-N-methylanilino)piperidine-2,6-dione is sourced from PubChem (CID 146573041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).