Back to Search
[1,4′-Bipiperidine]-4′-Carboxamide
CAS: 39633-82-4 | C11H21N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39633-82-4
Molecular Formula:
C11H21N3O
Molecular Mass:
211.31 g/mol
Names and Synonyms:
[1,4′-Bipiperidine]-4′-Carboxamide
[1,4′-Bipiperidine]-4′-carboxamide
4-Carbamoyl-4-piperidinopiperidine
4-Carbamoyl-4-(1-piperidinyl)piperidine
4-(1-Piperidinyl)-4-(aminocarbonyl)piperidine
NSC 76044
[1,4′]Bipiperidinyl-4′-carboxylic acid amide
1,4′-Bipiperidinyl-4′-carboxamide
Identifiers:
SMILES:
N=C(O)C1(N2CCCCC2)CCNCC1
InChI:
InChI=1S/C11H21N3O/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15)
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 | 211.31 g/mol | CAS Common Chemistry |
| 211.30899999999997 g/mol | RDKit | |
| 211.168462292 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1(N2CCCCC2)CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H21N3O/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15) | CAS Common Chemistry |
| InChI Key | InChIKey=AUXZEVXPRCVGAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [1,4′-Bipiperidine]-4′-carboxamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 59.35 Ų | RDKit |
| LogP | 1.1297699999999997 | RDKit |
| Molar Refractivity | 60.61420000000004 | RDKit |
