ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate

C16H20N2O4 — CID 44999677

IUPACethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H20N2O4/c1-2-22-16(21)12-8-10-18(11-9-12)15(20)14(19)17-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,17,19)
InChIKeyBJTSXXFZZKNYJW-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.43
Rot. Bonds3

About ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate

ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate (PubChem CID 44999677) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
PubChem CID44999677
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H20N2O4/c1-2-22-16(21)12-8-10-18(11-9-12)15(20)14(19)17-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,17,19)
InChIKeyBJTSXXFZZKNYJW-UHFFFAOYSA-N
XLogP1.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.43
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 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
CID 108504159
ethyl 1-[2-oxo-2-(pyridin-3-ylamino)acetyl]piperidine-4-carboxylate
CID 44902348
ethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)acetyl]piperidine-4-carboxylate
CID 108504241
ethyl 1-[2-(2,6-dimethylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 44902571
ethyl 1-[2-(4-butylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108502335
ethyl 1-[2-(2-bromoanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504290
ethyl 1-[2-oxo-2-(4-thiocyanatoanilino)acetyl]piperidine-4-carboxylate
CID 108504242
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
ethyl 1-[2-(4-chloro-2-methylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504213
ethyl 1-[N'-(2-anilino-2-oxoethyl)-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155523
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate (CID 44999677) is ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate?
The InChIKey is BJTSXXFZZKNYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-22-16(21)12-8-10-18(11-9-12)15(20)14(19)17-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,17,19).
What are the key properties of ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate?
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 44999677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).