5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C25H28N4O4 — CID 176695021

IUPAC5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(N4CC5(CC(CN6C[C@H]7C[C@H]7C6)C5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H28N4O4/c30-21-4-3-20(22(31)26-21)29-23(32)18-2-1-17(6-19(18)24(29)33)28-12-25(13-28)7-14(8-25)9-27-10-15-5-16(15)11-27/h1-2,6,14-16,20H,3-5,7-13H2,(H,26,30,31)/t15-,16+,20?
InChIKeyFOQFKMMPDPETIH-NYTJIUQPSA-N
MW448.52 g/mol
LogP1.26
Rot. Bonds4

About 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 176695021) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID176695021
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(N4CC5(CC(CN6C[C@H]7C[C@H]7C6)C5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H28N4O4/c30-21-4-3-20(22(31)26-21)29-23(32)18-2-1-17(6-19(18)24(29)33)28-12-25(13-28)7-14(8-25)9-27-10-15-5-16(15)11-27/h1-2,6,14-16,20H,3-5,7-13H2,(H,26,30,31)/t15-,16+,20?
InChIKeyFOQFKMMPDPETIH-NYTJIUQPSA-N
XLogP1.26
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]isoindole-1,3-dione
CID 167091176
5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163294617
5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163294211
2-(2,6-dioxopiperidin-3-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]azetidin-1-yl]isoindole-1,3-dione
CID 156709683
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]acetic acid
CID 165371024
3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propanal
CID 168740492
2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione
CID 156729472
2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde
CID 155219122
2-(2,6-dioxopiperidin-3-yl)-5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]isoindole-1,3-dione
CID 146485030
2-(2,6-dioxopiperidin-3-yl)-5-(3-iodopyrrolidin-1-yl)isoindole-1,3-dione
CID 155177559
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 176695021) is 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CC5(CC(CN6C[C@H]7C[C@H]7C6)C5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is FOQFKMMPDPETIH-NYTJIUQPSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-21-4-3-20(22(31)26-21)29-23(32)18-2-1-17(6-19(18)24(29)33)28-12-25(13-28)7-14(8-25)9-27-10-15-5-16(15)11-27/h1-2,6,14-16,20H,3-5,7-13H2,(H,26,30,31)/t15-,16+,20?.
What are the key properties of 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 448.52 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 176695021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).