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

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

3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 140817301) has the molecular formula C25H26FN3O5 and a molecular weight of 468.50 g/mol. Its IUPAC name is 3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	140817301
Molecular Formula	C25H26FN3O5
Molecular Weight	468.50 g/mol
Exact Mass	468.19
IUPAC Name	3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	[2H]C1(N2Cc3c(OCc4cccc(CN5CCOCC5)c4F)cccc3C2=O)CCC(=O)NC1=O
InChI	InChI=1S/C25H26FN3O5/c26-23-16(13-28-9-11-33-12-10-28)3-1-4-17(23)15-34-21-6-2-5-18-19(21)14-29(25(18)32)20-7-8-22(30)27-24(20)31/h1-6,20H,7-15H2,(H,27,30,31)/i20D
InChIKey	JLOKVCGUSOTRSU-YVHRXSIGSA-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	468.50
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-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 140817301) is 3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]C1(N2Cc3c(OCc4cccc(CN5CCOCC5)c4F)cccc3C2=O)CCC(=O)NC1=O.

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

The InChIKey is JLOKVCGUSOTRSU-YVHRXSIGSA-N. The full InChI is InChI=1S/C25H26FN3O5/c26-23-16(13-28-9-11-33-12-10-28)3-1-4-17(23)15-34-21-6-2-5-18-19(21)14-29(25(18)32)20-7-8-22(30)27-24(20)31/h1-6,20H,7-15H2,(H,27,30,31)/i20D.

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

3-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 468.50 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-deuterio-3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 140817301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).