3-amino-1-fluoro-6-methylidenepiperidin-2-one

C6H9FN2O — CID 176695005

IUPAC3-amino-1-fluoro-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N)C(=O)N1F
InChIInChI=1S/C6H9FN2O/c1-4-2-3-5(8)6(10)9(4)7/h5H,1-3,8H2
InChIKeyVNMHTIDKGAVWNB-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.33
Rot. Bonds

About 3-amino-1-fluoro-6-methylidenepiperidin-2-one

3-amino-1-fluoro-6-methylidenepiperidin-2-one (PubChem CID 176695005) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 3-amino-1-fluoro-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-amino-1-fluoro-6-methylidenepiperidin-2-one
PubChem CID176695005
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name3-amino-1-fluoro-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N)C(=O)N1F
InChIInChI=1S/C6H9FN2O/c1-4-2-3-5(8)6(10)9(4)7/h5H,1-3,8H2
InChIKeyVNMHTIDKGAVWNB-UHFFFAOYSA-N
XLogP0.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 3-amino-1-fluoro-6-methylidenepiperidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5-Amino-1-methyl-6-methylidenepiperidin-2-one
CID 88976276
5-(Methylamino)-6-methylidenepiperidin-2-one
CID 132135273
3-Amino-6-methylidenepiperidin-2-one
CID 132135290
3-(Methylamino)-6-methylidenepiperidin-2-one
CID 132135335
3-(1-Aminoethenylamino)-6-methylidenepiperidin-2-one
CID 138496405
5-Amino-6-methylidenepiperidin-2-one
CID 148681567
3-(Ethylamino)-6-methylidenepiperidin-2-one
CID 164923084
3-Amino-1-iodo-6-methylidenepiperidin-2-one
CID 170004453
(3S)-3-amino-6-methylidenepiperidin-2-one
CID 170229748
(3R)-3-amino-6-methylidenepiperidin-2-one
CID 170229750
1-Methyl-3-(methylamino)-6-methylidenepiperidin-2-one
CID 171788476
N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 141788913

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-fluoro-6-methylidenepiperidin-2-one?
The IUPAC name of 3-amino-1-fluoro-6-methylidenepiperidin-2-one (CID 176695005) is 3-amino-1-fluoro-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-amino-1-fluoro-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-amino-1-fluoro-6-methylidenepiperidin-2-one is C=C1CCC(N)C(=O)N1F.
What is the InChIKey of 3-amino-1-fluoro-6-methylidenepiperidin-2-one?
The InChIKey is VNMHTIDKGAVWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-4-2-3-5(8)6(10)9(4)7/h5H,1-3,8H2.
What are the key properties of 3-amino-1-fluoro-6-methylidenepiperidin-2-one?
3-amino-1-fluoro-6-methylidenepiperidin-2-one has a molecular weight of 144.15 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-fluoro-6-methylidenepiperidin-2-one is sourced from PubChem (CID 176695005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).