1-[4-(4-fluorophenyl)-4-oxobutyl]-4-[(2H10)piperidin-1-yl]piperidine-4-carboxamide

• ChemBase ID: 176750
• Molecular Formular: C21H30FN3O2
• Molecular Mass: 375.4802032
• Monoisotopic Mass: 375.23220544
• SMILES: c1c(ccc(c1)C(=O)CCCN1CCC(CC1)(C(=O)N)N1CCCCC1)F
• Canonical SMILES: O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N
• InChI: InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)
• InChIKey: AXKPFOAXAHJUAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-[(^2H₁₀)piperidin-1-yl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-[(^2H₁₀)piperidin-1-yl]piperidine-4-carboxamide
• Synonyms: 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine-d10]-4'-carboxamide Hydrochloride; Pipamperone-d10 Hydrochloride; Dipiperon-d10; Piperonil-d10; Propitan-d10; R4050-d10; Pipamperone-d10 Dihydrochloride

Database IDs

• PubChem SID: 164232660
• PubChem CID: 71751680

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -1.86421
• LogD (pH = 7.4): 0.5398947
• Log P: 1.8671278
• Molar Refractivity: 105.1003 cm^3
• Polarizability: 40.466053 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 15.944503
• H Acceptors: 4

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White to Off-White Solid
• Melting Point: 213-220°C

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - P475202

Labelled Pipamperone (P475200). Antipsychotic.

REFERENCES

• Steinijans, V., et al.: Eur. J. Clin. Pharm., 24, 127 (1983)
• Luhmann, I., et al.: Arzneim.-Forsch., 42, 1069 (1983)
• Hauck, W., et al.: J. Biopharm. Stat., 7, 87 (1983)