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4-Piperidinecarboxamide
CAS: 39546-32-2 | C6H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39546-32-2
Molecular Formula:
C6H12N2O
Molecular Weight:
128.175 g/mol
Names and Synonyms:
4-Piperidinecarboxamide
4-Piperidinecarboxamide
Isonipecotamide
4-Carbamoylpiperidine
4-(Aminocarbonyl)piperidine
4-Piperidylcarboxamide
Piperidine-4-carboxylic acid amide
4-Carboxamidopiperidine
NSC 82318
Identifiers:
SMILES:
N=C(O)C1CCNCC1
InChI:
InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.175 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.094963004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 56.11 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5212699999999997 | RDKit |
| molecular_mass | 128.17 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)C1CCNCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9) None | Legacy Database |
| cas-inchi-key | InChIKey=DPBWFNDFMCCGGJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 152-153 °C None | Legacy Database |
| cas-name | 4-Piperidinecarboxamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.949200000000005 | RDKit |
