Basic information
- Name:
N-Phenyl-4-(3-quinolinylmethyl)-1-piperidinecarboxamide
- CAS No.:
959151-50-9
- Molecular Structure:
- Formula:
- C22H23N3O
- Molecular Weight:
- 345.18
- Synonyms:
- 1-Piperidinecarboxamide, N-phenyl-4-(3-quinolinylmethyl)-;N-Phenyl-4-(3-quinolylmethyl)piperidine-1-carboxamide;
- Density:
- 1.226 g/cm3
- Boiling Point:
- 582.7 °C at 760 mmHg
- Flash Point:
- 306.2 °C
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Specification
The N-Phenyl-4-(3-quinolinylmethyl)-1-piperidinecarboxamide, with the CAS registry number 959151-50-9, is also known as 1-Piperidinecarboxamide, N-phenyl-4-(3-quinolinylmethyl)-. This chemical's molecular formula is C22H23N3O and molecular weight is 345.18. What's more, its systematic name is called N-Phenyl-4-(3-quinolylmethyl)piperidine-1-carboxamide. It is used as fatty acid amide hydrolase (FAAH) inhibitor, selectively inhibiting FAAH within the central nervous system.
Physical properties about N-Phenyl-4-(3-quinolinylmethyl)-1-piperidinecarboxamide are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.77; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 45.23 Å2; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 105.47 cm3; (11)Molar Volume: 281.7 cm3; (12)Surface Tension: 60.7 dyne/cm; (13)Density: 1.226 g/cm3; (14)Flash Point: 306.2 °C; (15)Enthalpy of Vaporization: 87.11 kJ/mol; (16)Boiling Point: 582.7 °C at 760 mmHg; (17)Vapour Pressure: 1.44E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccccc1)N4CCC(Cc2cc3ccccc3nc2)CC4
(2) InChI: InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
(3) InChIKey: BIODYGOZWZNCAG-UHFFFAOYSA-N