3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H30N4O4 — CID 167729809

IUPAC3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN4CCC(C5CNCCO5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H30N4O4/c28-21-4-3-19(22(29)25-21)27-14-17-2-1-15(11-18(17)23(27)30)13-26-8-5-16(6-9-26)20-12-24-7-10-31-20/h1-2,11,16,19-20,24H,3-10,12-14H2,(H,25,28,29)
InChIKeyZBNCYQKGMLKODV-UHFFFAOYSA-N
MW426.52 g/mol
LogP0.65
Rot. Bonds4

About 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167729809) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167729809
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN4CCC(C5CNCCO5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H30N4O4/c28-21-4-3-19(22(29)25-21)27-14-17-2-1-15(11-18(17)23(27)30)13-26-8-5-16(6-9-26)20-12-24-7-10-31-20/h1-2,11,16,19-20,24H,3-10,12-14H2,(H,25,28,29)
InChIKeyZBNCYQKGMLKODV-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716932
3-[5-[(2-cyclopropylpiperazin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732199
3-[5-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740163
3-[5-[[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736163
3-[3-oxo-5-[[4-(2-oxopiperazin-1-yl)piperidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722857
3-[3-oxo-5-[(3-piperazin-1-ylsulfonylazetidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726786
3-[5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732277
3-[5-[[4-(3-aminooxetan-3-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731304
3-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridin-2-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724018
3-[5-(3,7-diazabicyclo[3.3.1]nonan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742520
3-[5-[[4-(3-amino-3-methylbutyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714658
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167729809) is 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CN4CCC(C5CNCCO5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZBNCYQKGMLKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c28-21-4-3-19(22(29)25-21)27-14-17-2-1-15(11-18(17)23(27)30)13-26-8-5-16(6-9-26)20-12-24-7-10-31-20/h1-2,11,16,19-20,24H,3-10,12-14H2,(H,25,28,29).
What are the key properties of 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 426.52 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-morpholin-2-ylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167729809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).