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

C21H24F2N4O3 — CID 167735921

IUPAC3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CNCC4CC5(CN4)CC5(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H24F2N4O3/c22-21(23)10-20(21)6-14(25-11-20)8-24-7-12-1-2-15-13(5-12)9-27(19(15)30)16-3-4-17(28)26-18(16)29/h1-2,5,14,16,24-25H,3-4,6-11H2,(H,26,28,29)
InChIKeyODTBRFCIZOQHGW-UHFFFAOYSA-N
MW418.44 g/mol
LogP0.92
Rot. Bonds5

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

3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167735921) has the molecular formula C21H24F2N4O3 and a molecular weight of 418.44 g/mol. Its IUPAC name is 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167735921
Molecular FormulaC21H24F2N4O3
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC Name3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CNCC4CC5(CN4)CC5(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H24F2N4O3/c22-21(23)10-20(21)6-14(25-11-20)8-24-7-12-1-2-15-13(5-12)9-27(19(15)30)16-3-4-17(28)26-18(16)29/h1-2,5,14,16,24-25H,3-4,6-11H2,(H,26,28,29)
InChIKeyODTBRFCIZOQHGW-UHFFFAOYSA-N
XLogP0.92
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

3-[6-[[[(2S)-4,4-difluoropyrrolidin-2-yl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719849
3-[6-[[2-(ethylamino)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736726
3-[6-[(morpholin-3-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741976
3-[6-[[(2,2-dimethylpiperidin-4-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729462
3-[6-[[(4,4-difluoro-3-methylpyrrolidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732466
3-[6-[(5-azaspiro[3.4]octan-6-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723022
3-[6-[[(2,2-dimethylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724769
3-[3-oxo-6-[[[6-(trifluoromethyl)morpholin-3-yl]methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714463
3-[6-[[[3-(methylaminomethyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736958
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]formamide
CID 130219683
3-[6-[(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721577
3-[6-[(8-azaspiro[4.5]decan-4-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714468

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167735921) is 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CNCC4CC5(CN4)CC5(F)F)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ODTBRFCIZOQHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O3/c22-21(23)10-20(21)6-14(25-11-20)8-24-7-12-1-2-15-13(5-12)9-27(19(15)30)16-3-4-17(28)26-18(16)29/h1-2,5,14,16,24-25H,3-4,6-11H2,(H,26,28,29).
What are the key properties of 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 418.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(2,2-difluoro-5-azaspiro[2.4]heptan-6-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167735921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).