ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate

C15H19NO3 — CID 117407560

IUPACethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate
SMILESCCOC(=O)C(=O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)14(17)13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-6,12,16H,2,7-10H2,1H3
InChIKeyZKTMDOPWUBWJOM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.90
Rot. Bonds4

About ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate

ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate (PubChem CID 117407560) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate
PubChem CID117407560
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate
SMILESCCOC(=O)C(=O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)14(17)13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-6,12,16H,2,7-10H2,1H3
InChIKeyZKTMDOPWUBWJOM-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(4-methylcyclohexyl)phenyl]-2-oxoacetate
CID 117438595
ethyl 2-oxo-2-[4-(thietan-3-yl)phenyl]acetate
CID 117379279
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
4-piperidin-4-ylbenzamide;hydrochloride
CID 68719929
ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
4-(4-ethoxyphenyl)piperidine
CID 21495191
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate
CID 123718793
ethyl 2-oxo-2-(4-propylphenyl)acetate
CID 2758899
ethane;4-(4-methylphenyl)piperidine
CID 145467036
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate?
The IUPAC name of ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate (CID 117407560) is ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate is CCOC(=O)C(=O)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate?
The InChIKey is ZKTMDOPWUBWJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-15(18)14(17)13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-6,12,16H,2,7-10H2,1H3.
What are the key properties of ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate?
ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate has a molecular weight of 261.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate is sourced from PubChem (CID 117407560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).