5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C22H26N4O4 — CID 167726347

IUPAC5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCCC12CCN(Cc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C22H26N4O4/c23-17-2-1-7-22(17)8-9-25(12-22)11-13-3-4-14-15(10-13)21(30)26(20(14)29)16-5-6-18(27)24-19(16)28/h3-4,10,16-17H,1-2,5-9,11-12,23H2,(H,24,27,28)
InChIKeyVCVVMTIWJMSBCW-UHFFFAOYSA-N
MW410.47 g/mol
LogP0.79
Rot. Bonds3

About 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167726347) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167726347
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCCC12CCN(Cc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C22H26N4O4/c23-17-2-1-7-22(17)8-9-25(12-22)11-13-3-4-14-15(10-13)21(30)26(20(14)29)16-5-6-18(27)24-19(16)28/h3-4,10,16-17H,1-2,5-9,11-12,23H2,(H,24,27,28)
InChIKeyVCVVMTIWJMSBCW-UHFFFAOYSA-N
XLogP0.79
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
5-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740032
3-[6-[(5-amino-2-azaspiro[3.4]octan-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724911
5-[(6,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724349
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721268
5-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716406
5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741570
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbaldehyde
CID 170978784
5-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167726003

Frequently Asked Questions

What is the IUPAC name of 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167726347) is 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1CCCC12CCN(Cc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.
What is the InChIKey of 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is VCVVMTIWJMSBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c23-17-2-1-7-22(17)8-9-25(12-22)11-13-3-4-14-15(10-13)21(30)26(20(14)29)16-5-6-18(27)24-19(16)28/h3-4,10,16-17H,1-2,5-9,11-12,23H2,(H,24,27,28).
What are the key properties of 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 410.47 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167726347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).