4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione

C18H19N3O5 — CID 170631414

IUPAC4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione
SMILESO=C1CCC(c2c(OC3CCNCC3)ccc3c2C(=O)NC3=O)C(=O)N1
InChIInChI=1S/C18H19N3O5/c22-13-4-2-10(16(23)20-13)14-12(26-9-5-7-19-8-6-9)3-1-11-15(14)18(25)21-17(11)24/h1,3,9-10,19H,2,4-8H2,(H,20,22,23)(H,21,24,25)
InChIKeyVBSHLAVNTZZXGA-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.22
Rot. Bonds3

About 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione

4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione (PubChem CID 170631414) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione.

Molecular Properties

Compound Name4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione
PubChem CID170631414
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione
SMILESO=C1CCC(c2c(OC3CCNCC3)ccc3c2C(=O)NC3=O)C(=O)N1
InChIInChI=1S/C18H19N3O5/c22-13-4-2-10(16(23)20-13)14-12(26-9-5-7-19-8-6-9)3-1-11-15(14)18(25)21-17(11)24/h1,3,9-10,19H,2,4-8H2,(H,20,22,23)(H,21,24,25)
InChIKeyVBSHLAVNTZZXGA-UHFFFAOYSA-N
XLogP0.22
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione with MolForge

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Related Compounds

4-(2,6-dioxopiperidin-3-yl)-5-piperazin-2-ylisoindole-1,3-dione
CID 175936868
5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175936908
3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 97303764
4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid
CID 175902612
(3R)-3-(3-oxo-7-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 175756568
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739306
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
4-cyclobutyloxy-2-(2,6-dioxopiperidin-3-yl)-7-(trifluoromethyl)isoindole-1,3-dione
CID 138466808

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione?
The IUPAC name of 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione (CID 170631414) is 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione.
What is the SMILES notation for 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione?
The canonical SMILES for 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione is O=C1CCC(c2c(OC3CCNCC3)ccc3c2C(=O)NC3=O)C(=O)N1.
What is the InChIKey of 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione?
The InChIKey is VBSHLAVNTZZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-13-4-2-10(16(23)20-13)14-12(26-9-5-7-19-8-6-9)3-1-11-15(14)18(25)21-17(11)24/h1,3,9-10,19H,2,4-8H2,(H,20,22,23)(H,21,24,25).
What are the key properties of 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione?
4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione has a molecular weight of 357.37 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione is sourced from PubChem (CID 170631414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).