5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C21H24N4O4 — CID 167729558

IUPAC5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C2(CC2)C1
InChIInChI=1S/C21H24N4O4/c22-13-5-8-24(21(10-13)6-7-21)11-12-1-2-14-15(9-12)20(29)25(19(14)28)16-3-4-17(26)23-18(16)27/h1-2,9,13,16H,3-8,10-11,22H2,(H,23,26,27)
InChIKeyRZVGRPWLYUHHGO-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.54
Rot. Bonds3

About 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167729558) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167729558
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C2(CC2)C1
InChIInChI=1S/C21H24N4O4/c22-13-5-8-24(21(10-13)6-7-21)11-12-1-2-14-15(9-12)20(29)25(19(14)28)16-3-4-17(26)23-18(16)27/h1-2,9,13,16H,3-8,10-11,22H2,(H,23,26,27)
InChIKeyRZVGRPWLYUHHGO-UHFFFAOYSA-N
XLogP0.54
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.54
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

3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721584
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione
CID 167719995
5-[[3-(4-aminopiperidine-1-carbonyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741215
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
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-[[3-(piperazin-1-ylmethyl)azetidin-1-yl]methyl]isoindole-1,3-dione
CID 167730880
5-[[(3S,5S)-3-amino-5-methylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740368
5-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740032
5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167726347
5-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716406
6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbaldehyde
CID 170978784

Frequently Asked Questions

What is the IUPAC name of 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167729558) is 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C2(CC2)C1.
What is the InChIKey of 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is RZVGRPWLYUHHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c22-13-5-8-24(21(10-13)6-7-21)11-12-1-2-14-15(9-12)20(29)25(19(14)28)16-3-4-17(26)23-18(16)27/h1-2,9,13,16H,3-8,10-11,22H2,(H,23,26,27).
What are the key properties of 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 396.45 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-amino-4-azaspiro[2.5]octan-4-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167729558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).