2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide

C15H19N3O4 — CID 108513142

IUPAC2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
SMILESCCC1CCCCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O4/c1-2-12-5-3-4-10-17(12)15(20)14(19)16-11-6-8-13(9-7-11)18(21)22/h6-9,12H,2-5,10H2,1H3,(H,16,19)
InChIKeyBKPKOPCCSGHWHG-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.32
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide

2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide (PubChem CID 108513142) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
PubChem CID108513142
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
SMILESCCC1CCCCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O4/c1-2-12-5-3-4-10-17(12)15(20)14(19)16-11-6-8-13(9-7-11)18(21)22/h6-9,12H,2-5,10H2,1H3,(H,16,19)
InChIKeyBKPKOPCCSGHWHG-UHFFFAOYSA-N
XLogP2.32
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500088
N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108519859
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
2-(methylaminomethyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 115316419
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
ethyl 1-[2-(4-nitroanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108513134
2-(2-ethylpiperidin-1-yl)-2-oxo-N-pyrimidin-2-ylacetamide
CID 108520691
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 18588520

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide (CID 108513142) is 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide is CCC1CCCCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide?
The InChIKey is BKPKOPCCSGHWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-12-5-3-4-10-17(12)15(20)14(19)16-11-6-8-13(9-7-11)18(21)22/h6-9,12H,2-5,10H2,1H3,(H,16,19).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide?
2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide has a molecular weight of 305.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide is sourced from PubChem (CID 108513142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).