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Molecule
[1,4′-Bipiperidine]-4′-Carboxamide
CAS: 39633-82-4 · C11H21N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 39633-82-4
- Molecular Formula
- C11H21N3O
- Molecular Mass
- 211.31 g/mol
Identifiers
CAS Registry Number
39633-82-4
SMILES
N=C(O)C1(N2CCCCC2)CCNCC1
InChI Key
AUXZEVXPRCVGAO-UHFFFAOYSA-N
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)
Names and Synonyms
- [1,4′-Bipiperidine]-4′-Carboxamide Synonym
- [1,4′-Bipiperidine]-4′-carboxamide Synonym
- 4-Carbamoyl-4-piperidinopiperidine Synonym
- 4-Carbamoyl-4-(1-piperidinyl)piperidine Synonym
- 4-(1-Piperidinyl)-4-(aminocarbonyl)piperidine Synonym
- NSC 76044 Synonym
- [1,4′]Bipiperidinyl-4′-carboxylic acid amide Synonym
- 1,4′-Bipiperidinyl-4′-carboxamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.31 g/mol | CAS Common Chemistry |
| 211.30899999999997 g/mol | RDKit | |
| 211.309 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 |
| 1.1298 | RDKit | |
| Molar Refractivity | 60.61420000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 211.168462292 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 211.31 g/mol. Edit any field — others recompute live.
