2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione

C20H27N3O2 — CID 58786552

IUPAC2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C20H27N3O2/c24-19-16-8-4-5-9-17(16)20(25)23(19)14-18(15-6-2-1-3-7-15)22-12-10-21-11-13-22/h4-5,8-9,15,18,21H,1-3,6-7,10-14H2
InChIKeyAUMIIFRQMZCYFK-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione

2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione (PubChem CID 58786552) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione
PubChem CID58786552
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C20H27N3O2/c24-19-16-8-4-5-9-17(16)20(25)23(19)14-18(15-6-2-1-3-7-15)22-12-10-21-11-13-22/h4-5,8-9,15,18,21H,1-3,6-7,10-14H2
InChIKeyAUMIIFRQMZCYFK-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione (CID 58786552) is 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(C1CCCCC1)N1CCNCC1.
What is the InChIKey of 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione?
The InChIKey is AUMIIFRQMZCYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19-16-8-4-5-9-17(16)20(25)23(19)14-18(15-6-2-1-3-7-15)22-12-10-21-11-13-22/h4-5,8-9,15,18,21H,1-3,6-7,10-14H2.
What are the key properties of 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione?
2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione has a molecular weight of 341.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 58786552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).