4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione

C20H20N2O2 — CID 91150178

IUPAC4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N2O2/c23-19-17-8-4-7-16(18(17)20(24)21-19)15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,21,23,24)
InChIKeyAGHUOEVSDOTNQJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.95
Rot. Bonds3

About 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione

4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione (PubChem CID 91150178) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione
PubChem CID91150178
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N2O2/c23-19-17-8-4-7-16(18(17)20(24)21-19)15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,21,23,24)
InChIKeyAGHUOEVSDOTNQJ-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione
CID 23200080
5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one
CID 154680657
1-benzyl-4-(2-propylphenyl)piperidine
CID 143140323
1-benzyl-4-(2,5-dimethylphenyl)piperidine
CID 130137270
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
(3E)-3-(4-benzylpiperazin-1-yl)imino-1H-indol-2-one
CID 135505311
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
2-(1-benzylpiperidin-4-yl)-3-fluorobenzoic acid;2-fluorobenzoic acid
CID 67635602
1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one
CID 11718536
2-[3-(1-benzylpiperidin-4-yl)-2-nitrophenyl]acetamide
CID 142777077
12-[(4-benzylpiperazin-1-yl)methyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13)-tetraen-9-one
CID 91351465

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione (CID 91150178) is 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione is O=C1NC(=O)c2c1cccc2C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione?
The InChIKey is AGHUOEVSDOTNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-17-8-4-7-16(18(17)20(24)21-19)15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,21,23,24).
What are the key properties of 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione?
4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione has a molecular weight of 320.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 91150178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).