3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione

C12H14FN3O2 — CID 112740504

IUPAC3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2c(N)cccc2F)C1=O
InChIInChI=1S/C12H14FN3O2/c1-16-10(17)6-5-9(12(16)18)15-11-7(13)3-2-4-8(11)14/h2-4,9,15H,5-6,14H2,1H3
InChIKeyCCVMCTSDDYBIAM-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.97
Rot. Bonds2

About 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione

3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione (PubChem CID 112740504) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione
PubChem CID112740504
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2c(N)cccc2F)C1=O
InChIInChI=1S/C12H14FN3O2/c1-16-10(17)6-5-9(12(16)18)15-11-7(13)3-2-4-8(11)14/h2-4,9,15H,5-6,14H2,1H3
InChIKeyCCVMCTSDDYBIAM-UHFFFAOYSA-N
XLogP0.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione (CID 112740504) is 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Nc2c(N)cccc2F)C1=O.
What is the InChIKey of 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione?
The InChIKey is CCVMCTSDDYBIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-16-10(17)6-5-9(12(16)18)15-11-7(13)3-2-4-8(11)14/h2-4,9,15H,5-6,14H2,1H3.
What are the key properties of 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione?
3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione has a molecular weight of 251.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-fluoroanilino)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 112740504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).