3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C22H28N4O3 — CID 167721584

IUPAC3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C2(CCC2)C1
InChIInChI=1S/C22H28N4O3/c23-16-6-9-25(22(11-16)7-1-8-22)12-14-2-3-15-13-26(21(29)17(15)10-14)18-4-5-19(27)24-20(18)28/h2-3,10,16,18H,1,4-9,11-13,23H2,(H,24,27,28)
InChIKeyZMGIIKXNKCEAQX-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.29
Rot. Bonds3

About 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167721584) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167721584
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C2(CCC2)C1
InChIInChI=1S/C22H28N4O3/c23-16-6-9-25(22(11-16)7-1-8-22)12-14-2-3-15-13-26(21(29)17(15)10-14)18-4-5-19(27)24-20(18)28/h2-3,10,16,18H,1,4-9,11-13,23H2,(H,24,27,28)
InChIKeyZMGIIKXNKCEAQX-UHFFFAOYSA-N
XLogP1.29
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.29
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-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734853
3-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735599
3-[5-(2,6-diazaspiro[4.5]decan-6-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727492
5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167729558
3-[5-[[1-(aminomethyl)-2-azabicyclo[3.2.0]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723884
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730393
3-[5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737382
3-[5-[[(2S,3S)-3-amino-2-methylpyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735833
3-[5-(2,6-diazaspiro[3.5]nonan-6-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734001
3-[5-[(2,2-dimethyl-1,4-diazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717203

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167721584) is 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NC1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C2(CCC2)C1.
What is the InChIKey of 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZMGIIKXNKCEAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c23-16-6-9-25(22(11-16)7-1-8-22)12-14-2-3-15-13-26(21(29)17(15)10-14)18-4-5-19(27)24-20(18)28/h2-3,10,16,18H,1,4-9,11-13,23H2,(H,24,27,28).
What are the key properties of 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 396.49 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167721584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).