2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione

C20H20N2O3 — CID 168516530

IUPAC2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione
SMILESCOc1cc(N2CCCCC2)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-25-18-13-14(21-11-5-2-6-12-21)9-10-17(18)22-19(23)15-7-3-4-8-16(15)20(22)24/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeyKTHMPUKFGJUPID-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.49
Rot. Bonds3

About 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione

2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione (PubChem CID 168516530) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione
PubChem CID168516530
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione
SMILESCOc1cc(N2CCCCC2)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-25-18-13-14(21-11-5-2-6-12-21)9-10-17(18)22-19(23)15-7-3-4-8-16(15)20(22)24/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeyKTHMPUKFGJUPID-UHFFFAOYSA-N
XLogP3.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(azepan-1-yl)-2-propan-2-ylsulfonylphenyl]isoindole-1,3-dione
CID 168518036
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699
2-(3-methoxy-4-methylsulfanylphenyl)isoindole-1,3-dione
CID 168519200
2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione
CID 168517760
3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110567665
2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione
CID 168514746
1-(2-methoxyphenyl)-3-phenyl-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110595827
2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one
CID 66659102
3-(2-methoxyphenyl)-4-piperidin-1-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110567397
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566864
3-[5-(azonan-1-yl)-2-methoxyphenyl]-4-methoxyaniline
CID 135254488
3-(1,3-dioxoisoindol-2-yl)-4-methoxybenzaldehyde
CID 168517187

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione (CID 168516530) is 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione is COc1cc(N2CCCCC2)ccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione?
The InChIKey is KTHMPUKFGJUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-18-13-14(21-11-5-2-6-12-21)9-10-17(18)22-19(23)15-7-3-4-8-16(15)20(22)24/h3-4,7-10,13H,2,5-6,11-12H2,1H3.
What are the key properties of 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione?
2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione has a molecular weight of 336.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 168516530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).