50914148 -OEChem-04252405252D 69 72 0 1 0 0 0 0 0999 V2000 8.9282 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 0.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 -4.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 -5.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -4.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -2.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 -2.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -3.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 8 4 1 1 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 53 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 54 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 1 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 55 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 31 1 0 0 0 0 27 62 1 0 0 0 0 28 31 2 0 0 0 0 28 63 1 0 0 0 0 29 32 1 0 0 0 0 29 64 1 0 0 0 0 30 33 2 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 32 34 2 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 M END > 50914148 > 1 > 736 > 4 > 2 > 5 > AAADcfB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHgIQAAAADarBmCQywIPAAACIAiVSUACCAAAhBwAIiIGIZogIYDrB07HUIAhglgDIyAccgcAOgAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-(1-methyl-1-phenyl-ethyl)piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-(2-phenylpropan-2-yl)-3-piperidinecarboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2-phenylpropan-2-yl)piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2-phenylpropan-2-yl)piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]-N-(2-phenylpropan-2-yl)piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-cumyl-nipecotamide > InChI=1S/C27H35ClN4O2/c1-26(2)18-31(23-13-9-8-12-22(23)28)24(33)17-32(26)21-14-19(15-29-16-21)25(34)30-27(3,4)20-10-6-5-7-11-20/h5-13,19,21,29H,14-18H2,1-4H3,(H,30,34)/t19-,21+/m0/s1 > IGLXTRAPNVIMSD-PZJWPPBQSA-N > 3.5 > 482.2448541 > C27H35ClN4O2 > 483.0 > CC1(CN(C(=O)CN1C2CC(CNC2)C(=O)NC(C)(C)C3=CC=CC=C3)C4=CC=CC=C4Cl)C > CC1(CN(C(=O)CN1[C@@H]2C[C@@H](CNC2)C(=O)NC(C)(C)C3=CC=CC=C3)C4=CC=CC=C4Cl)C > 64.7 > 482.2448541 > 0 > 34 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 19 5 20 22 8 20 23 8 22 27 8 23 28 8 24 29 8 24 30 8 27 31 8 28 31 8 29 32 8 30 33 8 32 34 8 33 34 8 8 4 5 $$$$