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

C25H26FN3O5 — CID 53353607

IUPAC3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4ccc(CN5CCOCC5)c(F)c4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C25H26FN3O5/c26-20-12-16(4-5-17(20)13-28-8-10-33-11-9-28)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)
InChIKeyYFTCZNSIEMTSOV-UHFFFAOYSA-N
MW467.50 g/mol
LogP2.00
Rot. Bonds6

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

3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 53353607) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is 3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID53353607
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4ccc(CN5CCOCC5)c(F)c4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C25H26FN3O5/c26-20-12-16(4-5-17(20)13-28-8-10-33-11-9-28)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)
InChIKeyYFTCZNSIEMTSOV-UHFFFAOYSA-N
XLogP2.00
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 67335295
CID 67335295
CID 137379043
CID 137379043
CID 53353229
CID 53353229
CID 53353320
CID 53353320
CID 53353322
CID 53353322
CID 53353412
CID 53353412
CID 53353508
CID 53353508
CID 58389169
CID 58389169
CID 67332604
CID 67332604
CID 67334108
CID 67334108
CID 67334867
CID 67334867
CID 137379028
CID 137379028

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 53353607) is 3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4ccc(CN5CCOCC5)c(F)c4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is YFTCZNSIEMTSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5/c26-20-12-16(4-5-17(20)13-28-8-10-33-11-9-28)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).
What are the key properties of 3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 467.50 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-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 53353607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).