Nipecotamide - CAS 4138-26-5
Catalog: |
BB024871 |
Product Name: |
Nipecotamide |
CAS: |
4138-26-5 |
Synonyms: |
piperidine-3-carboxamide |
IUPAC Name: | piperidine-3-carboxamide |
Description: | Nipecotamide (CAS# 4138-26-5) is a budiling blcok used in the sythnesis of various compounds, such as DPP-4 inhibitors, IKKβ inhibitors, piroimidazolidinone NPC1L1 inhibitors, and Anti-HIV agents. |
Molecular Weight: | 128.17 |
Molecular Formula: | C6H12N2O |
Canonical SMILES: | C1CC(CNC1)C(=O)N |
InChI: | InChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9) |
InChI Key: | BVOCPVIXARZNQN-UHFFFAOYSA-N |
Boiling Point: | 311.7 °C at 760 mmHg |
Density: | 1.06 g/cm3 |
MDL: | MFCD00005993 |
LogP: | 0.50040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185451-A | Memantine urea derivative and preparation method and application thereof | 20210428 |
CN-111978242-A | Preparation method and application of (R) -3-aminopiperidine dihydrochloride | 20200821 |
WO-2021191412-A1 | Cathepsin substrates & cathepsin inhibitors and uses thereof | 20200326 |
JP-2021150561-A | Abrasive and polishing method | 20200323 |
CN-111763201-A | Benzothiazole compound and medical application thereof | 20200303 |
PMID | Publication Date | Title | Journal |
21459572 | 20110515 | 1,5-Substituted nipecotic amides: selective PDE8 inhibitors displaying diastereomer-dependent microsomal stability | Bioorganic & medicinal chemistry letters |
15066183 | 20040401 | A novel R-stereoselective amidase from Pseudomonas sp. MCI3434 acting on piperazine-2-tert-butylcarboxamide | European journal of biochemistry |
11212124 | 20010212 | Nipecotic and iso-nipecotic amides as potent and selective somatostatin subtype-2 receptor agonists | Bioorganic & medicinal chemistry letters |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.094963011 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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