3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H26N4O3 — CID 167718902

IUPAC3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNC1CN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CC12CC2
InChIInChI=1S/C21H26N4O3/c1-22-17-11-24(12-21(17)6-7-21)9-13-2-3-14-10-25(20(28)15(14)8-13)16-4-5-18(26)23-19(16)27/h2-3,8,16-17,22H,4-7,9-12H2,1H3,(H,23,26,27)
InChIKeyWPHXQVUDSMHKKQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP0.63
Rot. Bonds4

About 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167718902) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167718902
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNC1CN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CC12CC2
InChIInChI=1S/C21H26N4O3/c1-22-17-11-24(12-21(17)6-7-21)9-13-2-3-14-10-25(20(28)15(14)8-13)16-4-5-18(26)23-19(16)27/h2-3,8,16-17,22H,4-7,9-12H2,1H3,(H,23,26,27)
InChIKeyWPHXQVUDSMHKKQ-UHFFFAOYSA-N
XLogP0.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741172
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733099
3-[5-[[3-hydroxy-3-(methylaminomethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740401
3-[6-[[4-(methylamino)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734657
3-[5-(1,7-diazaspiro[3.4]octan-7-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715100
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-[[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737171
3-[5-(2,6-diazaspiro[3.5]nonan-6-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734001
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-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167718902) is 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CNC1CN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CC12CC2.
What is the InChIKey of 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is WPHXQVUDSMHKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-22-17-11-24(12-21(17)6-7-21)9-13-2-3-14-10-25(20(28)15(14)8-13)16-4-5-18(26)23-19(16)27/h2-3,8,16-17,22H,4-7,9-12H2,1H3,(H,23,26,27).
What are the key properties of 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 382.46 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167718902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).