2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione

C22H20N2O4 — CID 2738645

IUPAC2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C22H20N2O4/c25-19(14-24-21(27)17-8-4-5-9-18(17)22(24)28)23-12-10-16(11-13-23)20(26)15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyUITUULXMLAZGDB-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.40
Rot. Bonds4

About 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 2738645) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID2738645
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C22H20N2O4/c25-19(14-24-21(27)17-8-4-5-9-18(17)22(24)28)23-12-10-16(11-13-23)20(26)15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyUITUULXMLAZGDB-UHFFFAOYSA-N
XLogP2.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.40
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-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 51323644
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 18145950
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110667092
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119519454
2-[2-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-oxoethyl]isoindole-1,3-dione
CID 121191951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 2738645) is 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione is O=C(c1ccccc1)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is UITUULXMLAZGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-19(14-24-21(27)17-8-4-5-9-18(17)22(24)28)23-12-10-16(11-13-23)20(26)15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 376.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 2738645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).