1-[(N-Methyl-2-piperidinyl)methyl]-3-(1-adamantanecarbonyl)-1H-indole

The 1-[(N-Methyl-2-piperidinyl)methyl]-3-(1-adamantanecarbonyl)-1H-indole, with the CAS registry number 335160-66-2, is also known as Methanone, [1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]tricyclo[3.3.1.1^3,7]dec-1-yl-. It belongs to the product category of Intermediates of Research Chemical. This chemical's molecular formula is C₂₆H₃₄N₂O and molecular weight is 390.56. What's more, its systematic name is Adamantan-1-yl{1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl}methanone.

Physical properties of 1-[(N-Methyl-2-piperidinyl)methyl]-3-(1-adamantanecarbonyl)-1H-indole are: (1)ACD/LogP: 7.099; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 124.21; (6)ACD/BCF (pH 7.4): 746.65; (7)ACD/KOC (pH 5.5): 147.15; (8)ACD/KOC (pH 7.4): 884.49; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 25.24 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 116.189 cm³; (15)Molar Volume: 303.172 cm³; (16)Polarizability: 46.061×10^-24cm³; (17)Surface Tension: 51.13 dyne/cm; (18)Density: 1.288 g/cm³; (19)Flash Point: 282.489 °C; (20)Enthalpy of Vaporization: 82.186 kJ/mol; (21)Boiling Point: 543.483 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c3ccccc3n(c1)CC2N(C)CCCC2)C46CC5CC(CC(C4)C5)C6
(2)Std. InChI: InChI=1S/C26H34N2O/c1-27-9-5-4-6-21(27)16-28-17-23(22-7-2-3-8-24(22)28)25(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-3,7-8,17-21H,4-6,9-16H2,1H3
(3)Std. InChIKey: JRECAXBHMULNJQ-UHFFFAOYSA-N