2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione

C22H26N4O5 — CID 167726934

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione
SMILESCC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC2(CCNC2)O1
InChIInChI=1S/C22H26N4O5/c1-13-9-25(12-22(31-13)7-8-23-11-22)10-14-3-2-4-15-18(14)21(30)26(20(15)29)16-5-6-17(27)24-19(16)28/h2-4,13,16,23H,5-12H2,1H3,(H,24,27,28)
InChIKeyVNFJSSPIWKHFSN-UHFFFAOYSA-N
MW426.47 g/mol
LogP0.04
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione (PubChem CID 167726934) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione
PubChem CID167726934
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione
SMILESCC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC2(CCNC2)O1
InChIInChI=1S/C22H26N4O5/c1-13-9-25(12-22(31-13)7-8-23-11-22)10-14-3-2-4-15-18(14)21(30)26(20(15)29)16-5-6-17(27)24-19(16)28/h2-4,13,16,23H,5-12H2,1H3,(H,24,27,28)
InChIKeyVNFJSSPIWKHFSN-UHFFFAOYSA-N
XLogP0.04
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735577
4-[(4-amino-3,5-dimethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728924
4-[(3-amino-3-methylazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742001
4-[(7,7-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717168
4-[[3-(1-aminocyclopropyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727847
4-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724381
4-[(1,4-dioxa-9-azaspiro[5.5]undecan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724642
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(2-piperidin-4-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167718533
4-[[3-(2-aminoethyl)-3-hydroxyazetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720275
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 167738619

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione (CID 167726934) is 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione is CC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC2(CCNC2)O1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione?
The InChIKey is VNFJSSPIWKHFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-13-9-25(12-22(31-13)7-8-23-11-22)10-14-3-2-4-15-18(14)21(30)26(20(15)29)16-5-6-17(27)24-19(16)28/h2-4,13,16,23H,5-12H2,1H3,(H,24,27,28).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione has a molecular weight of 426.47 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[(7-methyl-6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 167726934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).