ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate

C18H24N2O4 — CID 108500088

IUPACethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)N2CCCCC2CC)cc1
InChIInChI=1S/C18H24N2O4/c1-3-15-7-5-6-12-20(15)17(22)16(21)19-14-10-8-13(9-11-14)18(23)24-4-2/h8-11,15H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyAGBQJYINKROHEH-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.59
Rot. Bonds4

About ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate

ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate (PubChem CID 108500088) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
PubChem CID108500088
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)N2CCCCC2CC)cc1
InChIInChI=1S/C18H24N2O4/c1-3-15-7-5-6-12-20(15)17(22)16(21)19-14-10-8-13(9-11-14)18(23)24-4-2/h8-11,15H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyAGBQJYINKROHEH-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.59
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

N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108523479
N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108519859
2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513142
ethyl 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500096
ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109161686
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108523558

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate (CID 108500088) is ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C(=O)N2CCCCC2CC)cc1.
What is the InChIKey of ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate?
The InChIKey is AGBQJYINKROHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-15-7-5-6-12-20(15)17(22)16(21)19-14-10-8-13(9-11-14)18(23)24-4-2/h8-11,15H,3-7,12H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate?
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate has a molecular weight of 332.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108500088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).