3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione

C13H14FN3O2 — CID 70267564

IUPAC3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione
SMILESNc1cccc2c1CNC2C1(F)CCC(=O)NC1=O
InChIInChI=1S/C13H14FN3O2/c14-13(5-4-10(18)17-12(13)19)11-7-2-1-3-9(15)8(7)6-16-11/h1-3,11,16H,4-6,15H2,(H,17,18,19)
InChIKeyVRSYHGVTSSJLMK-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.56
Rot. Bonds1

About 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione

3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione (PubChem CID 70267564) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione
PubChem CID70267564
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione
SMILESNc1cccc2c1CNC2C1(F)CCC(=O)NC1=O
InChIInChI=1S/C13H14FN3O2/c14-13(5-4-10(18)17-12(13)19)11-7-2-1-3-9(15)8(7)6-16-11/h1-3,11,16H,4-6,15H2,(H,17,18,19)
InChIKeyVRSYHGVTSSJLMK-UHFFFAOYSA-N
XLogP0.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione?
The IUPAC name of 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione (CID 70267564) is 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione.
What is the SMILES notation for 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione?
The canonical SMILES for 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione is Nc1cccc2c1CNC2C1(F)CCC(=O)NC1=O.
What is the InChIKey of 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione?
The InChIKey is VRSYHGVTSSJLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-13(5-4-10(18)17-12(13)19)11-7-2-1-3-9(15)8(7)6-16-11/h1-3,11,16H,4-6,15H2,(H,17,18,19).
What are the key properties of 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione?
3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione has a molecular weight of 263.27 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione is sourced from PubChem (CID 70267564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).