3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one

C13H17FN2O2 — CID 104791742

IUPAC3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cccc(CNC2CCCNC2=O)c1F
InChIInChI=1S/C13H17FN2O2/c1-18-11-6-2-4-9(12(11)14)8-16-10-5-3-7-15-13(10)17/h2,4,6,10,16H,3,5,7-8H2,1H3,(H,15,17)
InChIKeyRDZYYHBNMZVFJA-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.20
Rot. Bonds4

About 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one

3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one (PubChem CID 104791742) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
PubChem CID104791742
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cccc(CNC2CCCNC2=O)c1F
InChIInChI=1S/C13H17FN2O2/c1-18-11-6-2-4-9(12(11)14)8-16-10-5-3-7-15-13(10)17/h2,4,6,10,16H,3,5,7-8H2,1H3,(H,15,17)
InChIKeyRDZYYHBNMZVFJA-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
CID 62094837
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one
CID 62094465
3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one
CID 113356898
(3S)-3-[(5-bromo-2-methoxyphenyl)methylamino]azepan-2-one
CID 93263397
3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
CID 104791896
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]azepan-2-one
CID 43782021
3-[(2-aminophenyl)methylamino]piperidin-2-one
CID 66417485
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]azepan-2-one;hydrochloride
CID 47045790

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one (CID 104791742) is 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one is COc1cccc(CNC2CCCNC2=O)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is RDZYYHBNMZVFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-11-6-2-4-9(12(11)14)8-16-10-5-3-7-15-13(10)17/h2,4,6,10,16H,3,5,7-8H2,1H3,(H,15,17).
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one?
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 104791742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).