2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione

C21H22N2O2 — CID 166451914

IUPAC2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-12-16-10-13-22(14-11-16)17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyIWZKSYNKYKEYHL-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.59
Rot. Bonds4

About 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione

2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione (PubChem CID 166451914) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione
PubChem CID166451914
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-12-16-10-13-22(14-11-16)17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyIWZKSYNKYKEYHL-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione (CID 166451914) is 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione?
The InChIKey is IWZKSYNKYKEYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-12-16-10-13-22(14-11-16)17-6-2-1-3-7-17/h1-9,16H,10-15H2.
What are the key properties of 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione?
2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione has a molecular weight of 334.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 166451914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).