3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione

C14H17FN2O3 — CID 104791896

IUPAC3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
SMILESCOc1cccc(CNC2CCC(=O)N(C)C2=O)c1F
InChIInChI=1S/C14H17FN2O3/c1-17-12(18)7-6-10(14(17)19)16-8-9-4-3-5-11(20-2)13(9)15/h3-5,10,16H,6-8H2,1-2H3
InChIKeyAXZRQVJZXMZFET-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.07
Rot. Bonds4

About 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione

3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione (PubChem CID 104791896) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
PubChem CID104791896
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
SMILESCOc1cccc(CNC2CCC(=O)N(C)C2=O)c1F
InChIInChI=1S/C14H17FN2O3/c1-17-12(18)7-6-10(14(17)19)16-8-9-4-3-5-11(20-2)13(9)15/h3-5,10,16H,6-8H2,1-2H3
InChIKeyAXZRQVJZXMZFET-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-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

Related Compounds

3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
CID 104663909
4-fluoro-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]benzonitrile
CID 107904466
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
CID 104791742
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
3-[(2-fluoro-3-nitrophenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 107349256
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione
CID 113370978
3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione
CID 115524066
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 104795317
N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114545992
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104791697

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione (CID 104791896) is 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione is COc1cccc(CNC2CCC(=O)N(C)C2=O)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione?
The InChIKey is AXZRQVJZXMZFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-17-12(18)7-6-10(14(17)19)16-8-9-4-3-5-11(20-2)13(9)15/h3-5,10,16H,6-8H2,1-2H3.
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione?
3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione has a molecular weight of 280.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 104791896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).