4-[(Piperidine-3-carbonyl)amino]benzamide (609780-68-9)

The 4-[(Piperidine-3-carbonyl)amino]benzamide, with CAS registry number 609780-68-9, belongs to the following product category: Amide. It has the systematic name of N-(4-carbamoylphenyl)piperidine-3-carboxamide. Besides this, it is also called 3-Piperidinecarboxamide,N-[4-(aminocarbonyl)phenyl]-(9CI).

Physical properties of 4-[(Piperidine-3-carbonyl)amino]benzamide: (1)ACD/LogP: 0.26; (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)Enthalpy of Vaporization: 80.12 kJ/mol; (17)Vapour Pressure: 3.48E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)C(N)=O)C2CNCCC2
(2)InChI: InChI=1/C13H17N3O2/c14-12(17)9-3-5-11(6-4-9)16-13(18)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2,(H2,14,17)(H,16,18)
(3)InChIKey: ATVMOJTXLXJIPR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H17N3O2/c14-12(17)9-3-5-11(6-4-9)16-13(18)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2,(H2,14,17)(H,16,18)
(5)Std. InChIKey: ATVMOJTXLXJIPR-UHFFFAOYSA-N