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Troxipide
CAS: 30751-05-4 | C15H22N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
30751-05-4
Molecular Formula:
C15H22N2O4
Molecular Mass:
294.35 g/mol
Names and Synonyms:
Troxipide
Benzamide, 3,4,5-trimethoxy-N-3-piperidinyl-
Benzamide, 3,4,5-trimethoxy-N-3-piperidyl-
3,4,5-Trimethoxy-N-3-piperidinylbenzamide
3-(3,4,5-Trimethoxybenzamido)piperidine
KU 54
Troxipide
Aplace
(N-Piperidin-3-yl)-3,4,5-trimethoxybenzamide
Identifiers:
SMILES:
COc1cc(C(O)=NC2CCCNC2)cc(OC)c1OC
InChI:
InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
Key Properties
Melting Point
179-185 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 294.35 g/mol | CAS Common Chemistry |
| 294.351 g/mol | RDKit | |
| 294.157957184 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1CNCCC1)C2=CC(OC)=C(OC)C(OC)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=YSIITVVESCNIPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179-185 °C | CAS Common Chemistry |
| Name | Troxipide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.31 Ų | RDKit |
| LogP | 1.7690000000000001 | RDKit |
| Molar Refractivity | 81.15550000000005 | RDKit |
