1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione

C21H22N2O2 — CID 53383784

IUPAC1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(19-11-5-2-6-12-19)21(25)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2/b10-7+
InChIKeyLKAAKDODWQVTQZ-JXMROGBWSA-N
MW334.42 g/mol
LogP2.73
Rot. Bonds5

About 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione

1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione (PubChem CID 53383784) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
PubChem CID53383784
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(19-11-5-2-6-12-19)21(25)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2/b10-7+
InChIKeyLKAAKDODWQVTQZ-JXMROGBWSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione (CID 53383784) is 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione is O=C(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione?
The InChIKey is LKAAKDODWQVTQZ-JXMROGBWSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(19-11-5-2-6-12-19)21(25)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2/b10-7+.
What are the key properties of 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione?
1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione has a molecular weight of 334.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 53383784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).