structure of 2-[3-(Ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid

2-[3-(Ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid

CAS No.: 1000018-70-1
M. Wt: 322.31300
M. Fa: C15H18N2O6
InChI Key: NHEAJFNQCNBDTF-UHFFFAOYSA-N

Names and Identifiers of 1000018-70-1

CAS Number

1000018-70-1

MDL Number

MFCD09064901

IUPAC Name

2-(3-ethoxycarbonylpiperidin-1-yl)-5-nitrobenzoic acid

InChI

InChI=1S/C15H18N2O6/c1-2-23-15(20)10-4-3-7-16(9-10)13-6-5-11(17(21)22)8-12(13)14(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)

InChIKey

NHEAJFNQCNBDTF-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000018-70-1

Acidity coefficient

2.04±0.22(Predicted)

Boiling Point

506.6±50.0 °C(Predicted)

Density

1.341±0.06 g/cm3(Predicted)

Exact Mass

322.11600

LogP

2.66070

Melting Point

127-128

Molecular Formula

C15H18N2O6

Molecular Weight

322.31300

PSA

112.66000

Safety Information of 1000018-70-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Biological Activity of 1000018-70-1

Research indicates that derivatives of 2-[3-(Ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid exhibit potential biological activities, particularly in medicinal chemistry. For instance, related compounds have been evaluated for their anti-ulcerative properties and their role as prokinetic agents. Studies suggest that these compounds may interact with specific biological targets, making them candidates for further pharmacological evaluation.