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

C23H22N2O4 — CID 51323644

IUPAC2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)C1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H22N2O4/c26-20(12-15-25-22(28)18-8-4-5-9-19(18)23(25)29)24-13-10-17(11-14-24)21(27)16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeySTOZKYOHSKFELZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.79
Rot. Bonds5

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

2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione (PubChem CID 51323644) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
PubChem CID51323644
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)C1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H22N2O4/c26-20(12-15-25-22(28)18-8-4-5-9-19(18)23(25)29)24-13-10-17(11-14-24)21(27)16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeySTOZKYOHSKFELZ-UHFFFAOYSA-N
XLogP2.79
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.79
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-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
2-[3-(4-benzoyl-1,4-diazepan-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 108546109
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
2-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90589734
2-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110284700
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110397075
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558162
2-[3-[4-(4-chlorobutanoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108568447

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione (CID 51323644) is 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione is O=C(c1ccccc1)C1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is STOZKYOHSKFELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-20(12-15-25-22(28)18-8-4-5-9-19(18)23(25)29)24-13-10-17(11-14-24)21(27)16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione?
2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 390.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 51323644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).