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

C13H15N3O5 — CID 18588520

IUPAC2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H15N3O5/c17-11-5-7-15(8-6-11)13(19)12(18)14-9-1-3-10(4-2-9)16(20)21/h1-4,11,17H,5-8H2,(H,14,18)
InChIKeyDPSJIHFOUUZEJB-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.52
Rot. Bonds2

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

2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide (PubChem CID 18588520) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
PubChem CID18588520
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H15N3O5/c17-11-5-7-15(8-6-11)13(19)12(18)14-9-1-3-10(4-2-9)16(20)21/h1-4,11,17H,5-8H2,(H,14,18)
InChIKeyDPSJIHFOUUZEJB-UHFFFAOYSA-N
XLogP0.52
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513115
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide
CID 18284057
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
ethyl 1-[2-(4-nitroanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108513134
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 60958056
2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513142
N-(4-nitrophenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 17386361
4-methyl-N-(4-nitrophenyl)piperidine-1-carbothioamide
CID 8614417
1-(4-hydroxypiperidin-1-yl)-2-(4-nitrophenyl)sulfanylethanone
CID 43391770
2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 110901563
1-[3-(4-hydroxypiperidine-1-carboximidoyl)phenyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 46851822
(3R)-3-amino-N-(4-nitrophenyl)pyrrolidine-1-carbothioamide
CID 162511170

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide (CID 18588520) is 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide?
The InChIKey is DPSJIHFOUUZEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c17-11-5-7-15(8-6-11)13(19)12(18)14-9-1-3-10(4-2-9)16(20)21/h1-4,11,17H,5-8H2,(H,14,18).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide?
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide has a molecular weight of 293.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide is sourced from PubChem (CID 18588520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).