3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H26N4O4 — CID 167733590

IUPAC3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C2(CCOC2)C1
InChIInChI=1S/C21H26N4O4/c22-15-8-21(5-6-29-12-21)24(11-15)9-13-1-2-16-14(7-13)10-25(20(16)28)17-3-4-18(26)23-19(17)27/h1-2,7,15,17H,3-6,8-12,22H2,(H,23,26,27)
InChIKeyDNQMNEQTWJRUSE-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.14
Rot. Bonds3

About 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167733590) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167733590
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C2(CCOC2)C1
InChIInChI=1S/C21H26N4O4/c22-15-8-21(5-6-29-12-21)24(11-15)9-13-1-2-16-14(7-13)10-25(20(16)28)17-3-4-18(26)23-19(17)27/h1-2,7,15,17H,3-6,8-12,22H2,(H,23,26,27)
InChIKeyDNQMNEQTWJRUSE-UHFFFAOYSA-N
XLogP0.14
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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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-[6-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735776
3-[6-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741414
3-[6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.1]heptan-3-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716957
3-[6-(5-oxa-2,8-diazaspiro[3.4]octan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728804
3-[5-[(8-amino-5-azaspiro[3.5]nonan-5-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721584
3-[6-[(4-amino-2-azabicyclo[2.1.1]hexan-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731464
3-[6-[[(3S,5S)-3-amino-5-fluoropiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726415
3-[6-[(1-amino-3-azabicyclo[3.2.1]octan-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739961
3-[6-[[(3aS,7aR)-7a-(aminomethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718783
3-[6-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170209338
3-[6-[(3-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740062

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167733590) is 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NC1CN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C2(CCOC2)C1.
What is the InChIKey of 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DNQMNEQTWJRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c22-15-8-21(5-6-29-12-21)24(11-15)9-13-1-2-16-14(7-13)10-25(20(16)28)17-3-4-18(26)23-19(17)27/h1-2,7,15,17H,3-6,8-12,22H2,(H,23,26,27).
What are the key properties of 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 398.46 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3-amino-7-oxa-1-azaspiro[4.4]nonan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167733590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).