3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C23H30N4O4 — CID 167741832

IUPAC3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CN4CCOCC4C4CCCCN4)c3C2=O)C(=O)N1
InChIInChI=1S/C23H30N4O4/c28-20-8-7-18(22(29)25-20)27-13-16-5-3-4-15(21(16)23(27)30)12-26-10-11-31-14-19(26)17-6-1-2-9-24-17/h3-5,17-19,24H,1-2,6-14H2,(H,25,28,29)
InChIKeyYTKPZZLSORDHQR-UHFFFAOYSA-N
MW426.52 g/mol
LogP0.79
Rot. Bonds4

About 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167741832) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167741832
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CN4CCOCC4C4CCCCN4)c3C2=O)C(=O)N1
InChIInChI=1S/C23H30N4O4/c28-20-8-7-18(22(29)25-20)27-13-16-5-3-4-15(21(16)23(27)30)12-26-10-11-31-14-19(26)17-6-1-2-9-24-17/h3-5,17-19,24H,1-2,6-14H2,(H,25,28,29)
InChIKeyYTKPZZLSORDHQR-UHFFFAOYSA-N
XLogP0.79
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[3-oxo-4-[(4-piperidin-2-ylpiperidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724005
3-[4-[(2-cyclobutylpiperazin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742703
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione
CID 167717369
3-[4-[[(2S,3R)-2,3-dimethylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734754
3-[4-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730427
3-[4-[[(2R)-2-(aminomethyl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727976
3-[4-[[5-(aminomethyl)-2,2-dimethylmorpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731224
3-[4-(4,8-diazabicyclo[5.1.0]octan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719888
3-[4-[(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715974
3-[4-[[5-(aminomethyl)-6-azaspiro[3.4]octan-6-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725679
3-[4-[(azepan-3-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716560
3-[4-(4,7-diazaspiro[2.6]nonan-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717012

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167741832) is 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(CN4CCOCC4C4CCCCN4)c3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is YTKPZZLSORDHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c28-20-8-7-18(22(29)25-20)27-13-16-5-3-4-15(21(16)23(27)30)12-26-10-11-31-14-19(26)17-6-1-2-9-24-17/h3-5,17-19,24H,1-2,6-14H2,(H,25,28,29).
What are the key properties of 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 426.52 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167741832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).