3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

About 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 140817561) has the molecular formula C25H26FN3O5 and a molecular weight of 471.52 g/mol. Its IUPAC name is 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	140817561
Molecular Formula	C25H26FN3O5
Molecular Weight	471.52 g/mol
Exact Mass	471.21
IUPAC Name	3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	[2H]C1([2H])C(=O)NC(=O)C(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4F)cccc3C2=O)C1([2H])[2H]
InChI	InChI=1S/C25H26FN3O5/c26-20-12-16(13-28-8-10-33-11-9-28)4-5-17(20)15-34-22-3-1-2-18-19(22)14-29(25(18)32)21-6-7-23(30)27-24(21)31/h1-5,12,21H,6-11,13-15H2,(H,27,30,31)/i6D2,7D2
InChIKey	LSWTTWZVLFJNEN-KXGHAPEVSA-N
XLogP	2.00
TPSA	88.18 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 140817561) is 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]C1([2H])C(=O)NC(=O)C(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4F)cccc3C2=O)C1([2H])[2H].

What is the InChIKey of 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is LSWTTWZVLFJNEN-KXGHAPEVSA-N. The full InChI is InChI=1S/C25H26FN3O5/c26-20-12-16(13-28-8-10-33-11-9-28)4-5-17(20)15-34-22-3-1-2-18-19(22)14-29(25(18)32)21-6-7-23(30)27-24(21)31/h1-5,12,21H,6-11,13-15H2,(H,27,30,31)/i6D2,7D2.

What are the key properties of 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 471.52 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 140817561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).