3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H32N4O3 — CID 167715330

IUPAC3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN4CCCC(C56CCC5CCN6)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H32N4O3/c30-22-6-5-21(23(31)27-22)29-14-17-4-3-16(12-20(17)24(29)32)13-28-11-1-2-19(15-28)25-9-7-18(25)8-10-26-25/h3-4,12,18-19,21,26H,1-2,5-11,13-15H2,(H,27,30,31)
InChIKeyYUBZFAMNDOVUMU-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.80
Rot. Bonds4

About 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167715330) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167715330
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN4CCCC(C56CCC5CCN6)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H32N4O3/c30-22-6-5-21(23(31)27-22)29-14-17-4-3-16(12-20(17)24(29)32)13-28-11-1-2-19(15-28)25-9-7-18(25)8-10-26-25/h3-4,12,18-19,21,26H,1-2,5-11,13-15H2,(H,27,30,31)
InChIKeyYUBZFAMNDOVUMU-UHFFFAOYSA-N
XLogP1.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725861
3-[5-(1,7-diazaspiro[3.4]octan-7-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715100
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-(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-(2,6-diazaspiro[3.5]nonan-6-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734001
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-[5-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733099
3-[5-(3,7-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-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile
CID 167720573
3-[5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737382

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167715330) is 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CN4CCCC(C56CCC5CCN6)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is YUBZFAMNDOVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c30-22-6-5-21(23(31)27-22)29-14-17-4-3-16(12-20(17)24(29)32)13-28-11-1-2-19(15-28)25-9-7-18(25)8-10-26-25/h3-4,12,18-19,21,26H,1-2,5-11,13-15H2,(H,27,30,31).
What are the key properties of 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 436.56 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167715330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).