2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid

C15H18N2O3 — CID 12051420

IUPAC2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
SMILESO=C(O)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H18N2O3/c18-14(15(19)20)17-11-9-16(10-12-17)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H,19,20)/b7-4+
InChIKeyXAIPZNJHNXUGPC-QPJJXVBHSA-N
MW274.32 g/mol
LogP0.93
Rot. Bonds3

About 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid

2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid (PubChem CID 12051420) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
PubChem CID12051420
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
SMILESO=C(O)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H18N2O3/c18-14(15(19)20)17-11-9-16(10-12-17)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H,19,20)/b7-4+
InChIKeyXAIPZNJHNXUGPC-QPJJXVBHSA-N
XLogP0.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
N-tert-butyl-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108986110
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
2-oxo-N-(2-phenylethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985123
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylacetamide
CID 108986117
N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108983973
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid (CID 12051420) is 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid is O=C(O)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid?
The InChIKey is XAIPZNJHNXUGPC-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(15(19)20)17-11-9-16(10-12-17)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H,19,20)/b7-4+.
What are the key properties of 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid?
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 12051420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).