(3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H17FN2O4 — CID 140817485

IUPAC(3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H][C@@]1(N2Cc3c(OCc4cccc(F)c4)cccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C20H17FN2O4/c21-13-4-1-3-12(9-13)11-27-17-6-2-5-14-15(17)10-23(20(14)26)16-7-8-18(24)22-19(16)25/h1-6,9,16H,7-8,10-11H2,(H,22,24,25)/t16-/m1/s1/i16D
InChIKeyWDLNFBMWKJYFCW-QKHLJXARSA-N
MW369.37 g/mol
LogP2.17
Rot. Bonds4

About (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

(3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 140817485) has the molecular formula C20H17FN2O4 and a molecular weight of 369.37 g/mol. Its IUPAC name is (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID140817485
Molecular FormulaC20H17FN2O4
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name(3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H][C@@]1(N2Cc3c(OCc4cccc(F)c4)cccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C20H17FN2O4/c21-13-4-1-3-12(9-13)11-27-17-6-2-5-14-15(17)10-23(20(14)26)16-7-8-18(24)22-19(16)25/h1-6,9,16H,7-8,10-11H2,(H,22,24,25)/t16-/m1/s1/i16D
InChIKeyWDLNFBMWKJYFCW-QKHLJXARSA-N
XLogP2.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-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

(3R)-3-deuterio-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-5-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159077749
3-deuterio-3-[7-[[4-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817552
3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817301
(3R)-3-deuterio-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(methylamino)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 160712094
3-[7-[(3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354514
3-deuterio-3-[7-[[3-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817683
(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153447351
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
(3S)-3-deuterio-3-[1,1-dideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140915075
3,3,5-trideuterio-5-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 77107517
3-[7-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67334359
(3S)-3-[7-[(4-methylphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]azepane-2,7-dione
CID 155007600

Frequently Asked Questions

What is the IUPAC name of (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 140817485) is (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H][C@@]1(N2Cc3c(OCc4cccc(F)c4)cccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is WDLNFBMWKJYFCW-QKHLJXARSA-N. The full InChI is InChI=1S/C20H17FN2O4/c21-13-4-1-3-12(9-13)11-27-17-6-2-5-14-15(17)10-23(20(14)26)16-7-8-18(24)22-19(16)25/h1-6,9,16H,7-8,10-11H2,(H,22,24,25)/t16-/m1/s1/i16D.
What are the key properties of (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
(3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 369.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-deuterio-3-[7-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 140817485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).