2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione

C20H22N4O5 — CID 167731121

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CN4CCNCC45COC5)c3C2=O)C(=O)N1
InChIInChI=1S/C20H22N4O5/c25-15-5-4-14(17(26)22-15)24-18(27)13-3-1-2-12(16(13)19(24)28)8-23-7-6-21-9-20(23)10-29-11-20/h1-3,14,21H,4-11H2,(H,22,25,26)
InChIKeyGAYMWLXPYVKHTH-UHFFFAOYSA-N
MW398.42 g/mol
LogP-0.74
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione (PubChem CID 167731121) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione
PubChem CID167731121
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CN4CCNCC45COC5)c3C2=O)C(=O)N1
InChIInChI=1S/C20H22N4O5/c25-15-5-4-14(17(26)22-15)24-18(27)13-3-1-2-12(16(13)19(24)28)8-23-7-6-21-9-20(23)10-29-11-20/h1-3,14,21H,4-11H2,(H,22,25,26)
InChIKeyGAYMWLXPYVKHTH-UHFFFAOYSA-N
XLogP-0.74
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 5-0.74
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-[(7,7-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717168
4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734134
2-(2,6-dioxopiperidin-3-yl)-4-(5-thia-2,8-diazaspiro[3.4]octan-8-ylmethyl)isoindole-1,3-dione
CID 167729978
4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716871
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 167738619
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(2-piperidin-4-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167718533
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-[[2-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167729265
4-(2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepin-1-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167723514
3-[7-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726631
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperazine-1-carbonyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167719281

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione (CID 167731121) is 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CN4CCNCC45COC5)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione?
The InChIKey is GAYMWLXPYVKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c25-15-5-4-14(17(26)22-15)24-18(27)13-3-1-2-12(16(13)19(24)28)8-23-7-6-21-9-20(23)10-29-11-20/h1-3,14,21H,4-11H2,(H,22,25,26).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione has a molecular weight of 398.42 g/mol, XLogP of -0.74, 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-(2-oxa-5,8-diazaspiro[3.5]nonan-5-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 167731121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).