Benzoic acid,4-[[2-(1-piperidinyl)acetyl]amino]-, ethyl ester (41653-21-8)

The cas register number of Ethyl piperidinoacetylaminobenzoate is 41653-21-8. It also can be called as Benzoic acid, p-(2-piperidinoacetamido)-, ethyl ester and the IUPAC Name about this chemical is ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate. Classification Code about this chemical is Drug / Therapeutic Agent.

Physical properties about Ethyl piperidinoacetylaminobenzoate are: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 3.6; (4)ACD/BCF (pH 5.5): 9.95; (5)ACD/BCF (pH 7.4): 286.88; (6)ACD/KOC (pH 5.5): 60.82; (7)ACD/KOC (pH 7.4): 1754.54; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 49.85Ų; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 81.56 cm³; (14)Molar Volume: 250.4 cm³; (15)Polarizability: 32.33x10^-24cm³; (16)Surface Tension: 47.7 dyne/cm; (17)Enthalpy of Vaporization: 73.6 kJ/mol; (18)Boiling Point: 472.9 °C at 760 mmHg; (19)Vapour Pressure: 4.1E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(C(=O)OCC)cc1)CN2CCCCC2
(2)InChI: InChI=1/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)
(3)InChIKey: QLGIFPJNYPWBMQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)
(5)Std. InChIKey: QLGIFPJNYPWBMQ-UHFFFAOYSA-N

The toxicity data is as follows: