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

C24H25N3O3 — CID 2301572

IUPAC2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
SMILESC[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25N3O3/c1-18(27-23(29)20-11-5-6-12-21(20)24(27)30)22(28)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12,18H,13-17H2,1H3/b10-7+/t18-/m1/s1
InChIKeyXHXQGNDKZKWBCG-RUJXFNLJSA-N
MW403.48 g/mol
LogP2.53
Rot. Bonds5

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

2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione (PubChem CID 2301572) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
PubChem CID2301572
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
SMILESC[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25N3O3/c1-18(27-23(29)20-11-5-6-12-21(20)24(27)30)22(28)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12,18H,13-17H2,1H3/b10-7+/t18-/m1/s1
InChIKeyXHXQGNDKZKWBCG-RUJXFNLJSA-N
XLogP2.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
2-[1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethylidene]indene-1,3-dione
CID 3744591
2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
CID 6305993
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one
CID 171137316
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 122246503
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 6085432

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione (CID 2301572) is 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione is C[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione?
The InChIKey is XHXQGNDKZKWBCG-RUJXFNLJSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-18(27-23(29)20-11-5-6-12-21(20)24(27)30)22(28)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12,18H,13-17H2,1H3/b10-7+/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione?
2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione has a molecular weight of 403.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 2301572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).