3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C15H16N2O5 — CID 167342225

IUPAC3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C15H16N2O5/c1-21-10-5-3-8-7-17(15(20)12(8)13(10)22-2)9-4-6-11(18)16-14(9)19/h3,5,9H,4,6-7H2,1-2H3,(H,16,18,19)
InChIKeyRHCAXQNXHPJEHM-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.46
Rot. Bonds3

About 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 167342225) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID167342225
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C15H16N2O5/c1-21-10-5-3-8-7-17(15(20)12(8)13(10)22-2)9-4-6-11(18)16-14(9)19/h3,5,9H,4,6-7H2,1-2H3,(H,16,18,19)
InChIKeyRHCAXQNXHPJEHM-UHFFFAOYSA-N
XLogP0.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342404
2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one
CID 68963485
6,7-dimethoxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-isoindol-1-one
CID 68967237
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium
CID 163510675
3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342046
3-[5-chloro-4-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342407
3-[5-(dimethylamino)-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342441
3-(5-bromo-4-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342219
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 159386129
3-[4-(4-methylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177575
3-[4-bromo-5-(bromomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168871651

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 167342225) is 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is COc1ccc2c(c1OC)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is RHCAXQNXHPJEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-21-10-5-3-8-7-17(15(20)12(8)13(10)22-2)9-4-6-11(18)16-14(9)19/h3,5,9H,4,6-7H2,1-2H3,(H,16,18,19).
What are the key properties of 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 304.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 167342225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).