4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione

C16H17FN2O3 — CID 113201614

IUPAC4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)CN2C(=O)c3cccc(F)c3C2=O)CC1
InChIInChI=1S/C16H17FN2O3/c1-10-5-7-18(8-6-10)13(20)9-19-15(21)11-3-2-4-12(17)14(11)16(19)22/h2-4,10H,5-9H2,1H3
InChIKeyGRFHTRLDBYPUCY-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.68
Rot. Bonds2

About 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione

4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 113201614) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID113201614
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)CN2C(=O)c3cccc(F)c3C2=O)CC1
InChIInChI=1S/C16H17FN2O3/c1-10-5-7-18(8-6-10)13(20)9-19-15(21)11-3-2-4-12(17)14(11)16(19)22/h2-4,10H,5-9H2,1H3
InChIKeyGRFHTRLDBYPUCY-UHFFFAOYSA-N
XLogP1.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione
CID 17447980
2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
4-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 113201284
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 2706933
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 113201654
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119519454

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 113201614) is 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione is CC1CCN(C(=O)CN2C(=O)c3cccc(F)c3C2=O)CC1.
What is the InChIKey of 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is GRFHTRLDBYPUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10-5-7-18(8-6-10)13(20)9-19-15(21)11-3-2-4-12(17)14(11)16(19)22/h2-4,10H,5-9H2,1H3.
What are the key properties of 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 304.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 113201614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).