4-(4-Carbamoylphenylcarbamoyl)piperidine (609780-49-6)

The 4-(4-Carbamoylphenylcarbamoyl)piperidine, with the CAS registry number 609780-49-6, has the systematic name of N-(4-carbamoylphenyl)piperidine-4-carboxamide. It belongs to the product category of Amide. And the molecular formula of the chemical is C₁₃H₁₇N₃O₂.

The characteristics of 4-(4-Carbamoylphenylcarbamoyl)piperidine are as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 84.22 Å²; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 69.09 cm³; (13)Molar Volume: 199.7 cm³; (14)Polarizability: 27.38×10^-24cm³; (15)Surface Tension: 56.3 dyne/cm; (16)Density: 1.237 g/cm³; (17)Flash Point: 272.4 °C; (18)Enthalpy of Vaporization: 80.12 kJ/mol; (19)Boiling Point: 526.7 °C at 760 mmHg; (20)Vapour Pressure: 3.48E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)C(N)=O)C2CCNCC2
(2)InChI: InChI=1/C13H17N3O2/c14-12(17)9-1-3-11(4-2-9)16-13(18)10-5-7-15-8-6-10/h1-4,10,15H,5-8H2,(H2,14,17)(H,16,18)
(3)InChIKey: IJZROFXYVXWUFA-UHFFFAOYAB