2-oxo-2-(4-phenylpiperazin-1-yl)acetate

C12H13N2O3- — CID 2051799

IUPAC2-oxo-2-(4-phenylpiperazin-1-yl)acetate
SMILESO=C([O-])C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H14N2O3/c15-11(12(16)17)14-8-6-13(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)/p-1
InChIKeyGEVDWNOCZLFZOL-UHFFFAOYSA-M
MW233.25 g/mol
LogP-0.91
Rot. Bonds1

About 2-oxo-2-(4-phenylpiperazin-1-yl)acetate

2-oxo-2-(4-phenylpiperazin-1-yl)acetate (PubChem CID 2051799) has the molecular formula C12H13N2O3- and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-oxo-2-(4-phenylpiperazin-1-yl)acetate.

Molecular Properties

Compound Name2-oxo-2-(4-phenylpiperazin-1-yl)acetate
PubChem CID2051799
Molecular FormulaC12H13N2O3-
Molecular Weight233.25 g/mol
Exact Mass233.09
IUPAC Name2-oxo-2-(4-phenylpiperazin-1-yl)acetate
SMILESO=C([O-])C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H14N2O3/c15-11(12(16)17)14-8-6-13(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)/p-1
InChIKeyGEVDWNOCZLFZOL-UHFFFAOYSA-M
XLogP-0.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
sodium 2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoacetate
CID 23669413
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 119035022
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
(3S)-3-methyl-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoate
CID 7317251

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(4-phenylpiperazin-1-yl)acetate?
The IUPAC name of 2-oxo-2-(4-phenylpiperazin-1-yl)acetate (CID 2051799) is 2-oxo-2-(4-phenylpiperazin-1-yl)acetate.
What is the SMILES notation for 2-oxo-2-(4-phenylpiperazin-1-yl)acetate?
The canonical SMILES for 2-oxo-2-(4-phenylpiperazin-1-yl)acetate is O=C([O-])C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-oxo-2-(4-phenylpiperazin-1-yl)acetate?
The InChIKey is GEVDWNOCZLFZOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2O3/c15-11(12(16)17)14-8-6-13(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)/p-1.
What are the key properties of 2-oxo-2-(4-phenylpiperazin-1-yl)acetate?
2-oxo-2-(4-phenylpiperazin-1-yl)acetate has a molecular weight of 233.25 g/mol, XLogP of -0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(4-phenylpiperazin-1-yl)acetate is sourced from PubChem (CID 2051799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).