3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H24N4O4 — CID 170649435

IUPAC3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cc(CN5CC6(COC6)C5)ccn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H24N4O4/c29-21-4-3-20(22(30)26-21)28-10-17-8-16(1-2-18(17)23(28)31)19-7-15(5-6-25-19)9-27-11-24(12-27)13-32-14-24/h1-2,5-8,20H,3-4,9-14H2,(H,26,29,30)
InChIKeyFSQQCKAIHWEXOJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.34
Rot. Bonds4

About 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170649435) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170649435
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cc(CN5CC6(COC6)C5)ccn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H24N4O4/c29-21-4-3-20(22(30)26-21)28-10-17-8-16(1-2-18(17)23(28)31)19-7-15(5-6-25-19)9-27-11-24(12-27)13-32-14-24/h1-2,5-8,20H,3-4,9-14H2,(H,26,29,30)
InChIKeyFSQQCKAIHWEXOJ-UHFFFAOYSA-N
XLogP1.34
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[4-[[3-(aminomethyl)azetidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165403405
3-[3-oxo-6-[4-[(3-thiophen-3-ylazetidin-1-yl)methyl]-2-pyridinyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649427
3-[6-[4-[[3-(aminomethyl)azetidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 170695390
3-[6-[4-[[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649555
[1-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]azetidin-3-yl]methanesulfinate
CID 174189129
3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174189190
3-[3-oxo-6-[4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649426
(3S)-3-[6-[4-[(5-hydroxy-1H-cyclopenta[c]pyrrol-2-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175508787
3-[6-[[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731318
3-[6-(3,7-diazatricyclo[3.3.2.01,5]decan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735016
tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate
CID 165403375
3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 177241125

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170649435) is 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4cc(CN5CC6(COC6)C5)ccn4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FSQQCKAIHWEXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-21-4-3-20(22(30)26-21)28-10-17-8-16(1-2-18(17)23(28)31)19-7-15(5-6-25-19)9-27-11-24(12-27)13-32-14-24/h1-2,5-8,20H,3-4,9-14H2,(H,26,29,30).
What are the key properties of 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 432.48 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170649435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).