3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione

C8H13FN2O2 — CID 80694062

IUPAC3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCCF)C1=O
InChIInChI=1S/C8H13FN2O2/c1-11-7(12)3-2-6(8(11)13)10-5-4-9/h6,10H,2-5H2,1H3
InChIKeyWIHYNPZPQQLMCB-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.31
Rot. Bonds3

About 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione

3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione (PubChem CID 80694062) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione
PubChem CID80694062
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCCF)C1=O
InChIInChI=1S/C8H13FN2O2/c1-11-7(12)3-2-6(8(11)13)10-5-4-9/h6,10H,2-5H2,1H3
InChIKeyWIHYNPZPQQLMCB-UHFFFAOYSA-N
XLogP-0.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.31
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-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione (CID 80694062) is 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(NCCF)C1=O.
What is the InChIKey of 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione?
The InChIKey is WIHYNPZPQQLMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c1-11-7(12)3-2-6(8(11)13)10-5-4-9/h6,10H,2-5H2,1H3.
What are the key properties of 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione?
3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione has a molecular weight of 188.20 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 80694062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).