6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione

C23H24N2O4 — CID 72943635

IUPAC6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione
SMILESO=C1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1)OCO3
InChIInChI=1S/C23H24N2O4/c26-22-18-12-20-21(29-15-28-20)13-19(18)23(27)25(22)11-8-16-6-9-24(10-7-16)14-17-4-2-1-3-5-17/h1-5,12-13,16H,6-11,14-15H2
InChIKeyJXGLOHWZAFNLOQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.31
Rot. Bonds5

About 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione

6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione (PubChem CID 72943635) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione.

Molecular Properties

Compound Name6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione
PubChem CID72943635
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione
SMILESO=C1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1)OCO3
InChIInChI=1S/C23H24N2O4/c26-22-18-12-20-21(29-15-28-20)13-19(18)23(27)25(22)11-8-16-6-9-24(10-7-16)14-17-4-2-1-3-5-17/h1-5,12-13,16H,6-11,14-15H2
InChIKeyJXGLOHWZAFNLOQ-UHFFFAOYSA-N
XLogP3.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione?
The IUPAC name of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione (CID 72943635) is 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione.
What is the SMILES notation for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione?
The canonical SMILES for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione is O=C1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1)OCO3.
What is the InChIKey of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione?
The InChIKey is JXGLOHWZAFNLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22-18-12-20-21(29-15-28-20)13-19(18)23(27)25(22)11-8-16-6-9-24(10-7-16)14-17-4-2-1-3-5-17/h1-5,12-13,16H,6-11,14-15H2.
What are the key properties of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione?
6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione has a molecular weight of 392.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione is sourced from PubChem (CID 72943635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).