2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione

C23H26N2O3 — CID 10474803

IUPAC2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C23H26N2O3/c1-28-19-7-8-20-21(15-19)23(27)25(22(20)26)14-11-17-9-12-24(13-10-17)16-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3
InChIKeyVIBWVJMPDIEOED-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.59
Rot. Bonds6

About 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione

2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione (PubChem CID 10474803) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione
PubChem CID10474803
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C23H26N2O3/c1-28-19-7-8-20-21(15-19)23(27)25(22(20)26)14-11-17-9-12-24(13-10-17)16-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3
InChIKeyVIBWVJMPDIEOED-UHFFFAOYSA-N
XLogP3.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione?
The IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione (CID 10474803) is 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione?
The canonical SMILES for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione is COc1ccc2c(c1)C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O.
What is the InChIKey of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione?
The InChIKey is VIBWVJMPDIEOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-19-7-8-20-21(15-19)23(27)25(22(20)26)14-11-17-9-12-24(13-10-17)16-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3.
What are the key properties of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione?
2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione has a molecular weight of 378.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methoxyisoindole-1,3-dione is sourced from PubChem (CID 10474803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).