3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H26N4O3 — CID 167721336

IUPAC3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCC1CC2(C1)CN(Cc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3)C2
InChIInChI=1S/C21H26N4O3/c22-8-14-6-21(7-14)11-24(12-21)9-13-1-2-15-10-25(20(28)16(15)5-13)17-3-4-18(26)23-19(17)27/h1-2,5,14,17H,3-4,6-12,22H2,(H,23,26,27)
InChIKeyUAAOUHVHOLIRTC-UHFFFAOYSA-N
MW382.46 g/mol
LogP0.62
Rot. Bonds4

About 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167721336) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167721336
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCC1CC2(C1)CN(Cc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3)C2
InChIInChI=1S/C21H26N4O3/c22-8-14-6-21(7-14)11-24(12-21)9-13-1-2-15-10-25(20(28)16(15)5-13)17-3-4-18(26)23-19(17)27/h1-2,5,14,17H,3-4,6-12,22H2,(H,23,26,27)
InChIKeyUAAOUHVHOLIRTC-UHFFFAOYSA-N
XLogP0.62
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 50.62
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-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-(2,6-diazaspiro[3.5]nonan-6-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734001
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733099
3-[5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739661
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-[[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741172
3-[5-[[4-(5-aminopentyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730458
3-[5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732277
3-[5-(1,7-diazaspiro[3.4]octan-7-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715100
3-[5-[[4-(3-amino-3-methylbutyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714658
3-[3-oxo-5-[[4-(2-oxopiperazin-1-yl)piperidin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722857

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167721336) is 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NCC1CC2(C1)CN(Cc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3)C2.
What is the InChIKey of 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is UAAOUHVHOLIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-8-14-6-21(7-14)11-24(12-21)9-13-1-2-15-10-25(20(28)16(15)5-13)17-3-4-18(26)23-19(17)27/h1-2,5,14,17H,3-4,6-12,22H2,(H,23,26,27).
What are the key properties of 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 382.46 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167721336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).