3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C22H28N4O4 — CID 167734853

IUPAC3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C2(CCOCC2)C1
InChIInChI=1S/C22H28N4O4/c23-16-10-22(5-7-30-8-6-22)25(13-16)11-14-1-2-15-12-26(21(29)17(15)9-14)18-3-4-19(27)24-20(18)28/h1-2,9,16,18H,3-8,10-13,23H2,(H,24,27,28)
InChIKeySLKMDEORNUHQTQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.53
Rot. Bonds3

About 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167734853) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167734853
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C2(CCOCC2)C1
InChIInChI=1S/C22H28N4O4/c23-16-10-22(5-7-30-8-6-22)25(13-16)11-14-1-2-15-12-26(21(29)17(15)9-14)18-3-4-19(27)24-20(18)28/h1-2,9,16,18H,3-8,10-13,23H2,(H,24,27,28)
InChIKeySLKMDEORNUHQTQ-UHFFFAOYSA-N
XLogP0.53
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.53
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-[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
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-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-[[1-(aminomethyl)-2-azabicyclo[3.2.0]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723884
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[5-[(3'-aminospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730393
3-[7-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714424
3-[5-[[1-(aminomethyl)-4-methyl-2-azabicyclo[2.1.1]hexan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716491
3-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735599
3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721336
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-[[4-(3-amino-3-methylbutyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714658

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NC1CN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C2(CCOCC2)C1.
What is the InChIKey of 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is SLKMDEORNUHQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c23-16-10-22(5-7-30-8-6-22)25(13-16)11-14-1-2-15-12-26(21(29)17(15)9-14)18-3-4-19(27)24-20(18)28/h1-2,9,16,18H,3-8,10-13,23H2,(H,24,27,28).
What are the key properties of 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 412.49 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-amino-8-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167734853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).