3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H24N4O4 — CID 167715818

IUPAC3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CN4CCOC5(CNC5)C4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H24N4O4/c25-17-5-4-16(18(26)22-17)24-9-15-13(2-1-3-14(15)19(24)27)8-23-6-7-28-20(12-23)10-21-11-20/h1-3,16,21H,4-12H2,(H,22,25,26)
InChIKeyABZOYTCLSRHWSV-UHFFFAOYSA-N
MW384.44 g/mol
LogP-0.38
Rot. Bonds3

About 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167715818) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167715818
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CN4CCOC5(CNC5)C4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H24N4O4/c25-17-5-4-16(18(26)22-17)24-9-15-13(2-1-3-14(15)19(24)27)8-23-6-7-28-20(12-23)10-21-11-20/h1-3,16,21H,4-12H2,(H,22,25,26)
InChIKeyABZOYTCLSRHWSV-UHFFFAOYSA-N
XLogP-0.38
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.38
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-[7-(5-oxa-2,8-diazaspiro[3.4]octan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738049
3-[7-(2,6-diazaspiro[3.5]nonan-6-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740662
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
3-[3-oxo-7-[(2-piperidin-4-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717233
3-[7-[[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735222
3-[7-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718320
3-[3-oxo-7-[(3-piperidin-4-ylpyrrolidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723587
3-[7-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732257
3-[7-[(9-amino-6-azaspiro[3.5]nonan-6-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728772
3-[7-[[4-(azocan-5-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734383
3-[7-[[4-amino-4-(hydroxymethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715820
3-[7-(2,6-diazaspiro[4.5]decan-2-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738897

Frequently Asked Questions

What is the IUPAC name of 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167715818) is 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CN4CCOC5(CNC5)C4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ABZOYTCLSRHWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-17-5-4-16(18(26)22-17)24-9-15-13(2-1-3-14(15)19(24)27)8-23-6-7-28-20(12-23)10-21-11-20/h1-3,16,21H,4-12H2,(H,22,25,26).
What are the key properties of 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 384.44 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167715818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).