3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C22H28N4O3 — CID 167725921

IUPAC3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CN4CCCCCC45CNC5)c3C2=O)C(=O)N1
InChIInChI=1S/C22H28N4O3/c27-18-8-7-17(20(28)24-18)26-12-16-6-4-5-15(19(16)21(26)29)11-25-10-3-1-2-9-22(25)13-23-14-22/h4-6,17,23H,1-3,7-14H2,(H,24,27,28)
InChIKeySNLQHJSUUUADDT-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.17
Rot. Bonds3

About 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167725921) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167725921
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CN4CCCCCC45CNC5)c3C2=O)C(=O)N1
InChIInChI=1S/C22H28N4O3/c27-18-8-7-17(20(28)24-18)26-12-16-6-4-5-15(19(16)21(26)29)11-25-10-3-1-2-9-22(25)13-23-14-22/h4-6,17,23H,1-3,7-14H2,(H,24,27,28)
InChIKeySNLQHJSUUUADDT-UHFFFAOYSA-N
XLogP1.17
TPSA81.75 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 ≤ 51.17
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-[4-(1,9-diazaspiro[4.5]decan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723686
3-[4-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722344
3-[4-(4,7-diazaspiro[2.6]nonan-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717012
3-[7-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726631
3-[4-(2,7-diazaspiro[4.6]undecan-7-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724178
3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727143
3-[4-[(3-aminoazocan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716363
3-[4-[[1-(aminomethyl)-2-azabicyclo[3.2.0]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725502
3-[4-[[5-(aminomethyl)-6-azaspiro[3.4]octan-6-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725679
3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738881
3-[4-[[(3-cyclopropylpyrrolidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734515
3-[4-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730427

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167725921) is 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(CN4CCCCCC45CNC5)c3C2=O)C(=O)N1.
What is the InChIKey of 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is SNLQHJSUUUADDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-18-8-7-17(20(28)24-18)26-12-16-6-4-5-15(19(16)21(26)29)11-25-10-3-1-2-9-22(25)13-23-14-22/h4-6,17,23H,1-3,7-14H2,(H,24,27,28).
What are the key properties of 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 396.49 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-diazaspiro[3.6]decan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167725921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).