2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione

C24H25N3O3 — CID 1350975

IUPAC2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H25N3O3/c28-22(12-14-27-23(29)20-10-4-5-11-21(20)24(27)30)26-17-15-25(16-18-26)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2
InChIKeyISSHSVQEYCGFRL-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.53
Rot. Bonds6

About 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione

2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 1350975) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione
PubChem CID1350975
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H25N3O3/c28-22(12-14-27-23(29)20-10-4-5-11-21(20)24(27)30)26-17-15-25(16-18-26)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2
InChIKeyISSHSVQEYCGFRL-UHFFFAOYSA-N
XLogP2.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.53
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-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione (CID 1350975) is 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione is O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is ISSHSVQEYCGFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22(12-14-27-23(29)20-10-4-5-11-21(20)24(27)30)26-17-15-25(16-18-26)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2.
What are the key properties of 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 403.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 1350975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).