About (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone)
(3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone) (PubChem CID 158767578) has the molecular formula C195H233Cl7FN21O7
and a molecular weight of 3250.32 g/mol. Its IUPAC name is (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone).
Frequently Asked Questions
What is the IUPAC name of (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone)?
The IUPAC name of (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone) (CID 158767578) is (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone).
What is the SMILES notation for (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone)?
The canonical SMILES for (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone) is CC(C)CC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.CCCC1CC(c2ccccc2)CCCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.CCCC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.CCCC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.O=C(C1CNCC12CCCc1nc(Cl)ccc12)N1CCC(c2ccccc2)CC1c1ccccc1.O=C([C@@H]1CNCC12CCCc1nc(Cl)ccc12)N1CCC(c2ccccc2)CC1c1ccc(F)cc1.O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCCC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone)?
The InChIKey is IPLLKTQEZNGJRB-SWXJNGPISA-N. The full InChI is InChI=1S/C30H31ClFN3O.C30H32ClN3O.2C28H36ClN3O.2C27H34ClN3O.C25H30ClN3O/c31-28-13-12-24-26(34-28)7-4-15-30(24)19-33-18-25(30)29(36)35-16-14-22(20-5-2-1-3-6-20)17-27(35)21-8-10-23(32)11-9-21;31-28-14-13-24-26(33-28)12-7-16-30(24)20-32-19-25(30)29(35)34-17-15-23(21-8-3-1-4-9-21)18-27(34)22-10-5-2-6-11-22;1-19(2)15-22-16-21(20-7-4-3-5-8-20)12-14-32(22)27(33)24-17-30-18-28(24)13-6-9-25-23(28)10-11-26(29)31-25;1-2-8-22-17-21(20-9-4-3-5-10-20)11-7-16-32(22)27(33)24-18-30-19-28(24)15-6-12-25-23(28)13-14-26(29)31-25;2*1-2-7-21-16-20(19-8-4-3-5-9-19)13-15-31(21)26(32)23-17-29-18-27(23)14-6-10-24-22(27)11-12-25(28)30-24;26-23-11-10-20-22(28-23)9-4-12-25(20)17-27-15-21(25)24(30)29-13-5-8-19(16-29)14-18-6-2-1-3-7-18/h1-3,5-6,8-13,22,25,27,33H,4,7,14-19H2;1-6,8-11,13-14,23,25,27,32H,7,12,15-20H2;3-5,7-8,10-11,19,21-22,24,30H,6,9,12-18H2,1-2H3;3-5,9-10,13-14,21-22,24,30H,2,6-8,11-12,15-19H2,1H3;2*3-5,8-9,11-12,20-21,23,29H,2,6-7,10,13-18H2,1H3;1-3,6-7,10-11,19,21,27H,4-5,8-9,12-17H2/t22?,25-,27?,30?;;2*21?,22?,24-,28?;2*20?,21?,23-,27?;19?,21-,25-/m0.00000/s1.
What are the key properties of (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone)?
(3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone) has a molecular weight of 3250.32 g/mol, XLogP of 36.55, 25 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpiperidin-1-yl)-[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2,4-diphenylpiperidin-1-yl)methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(4-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone;[(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylazepan-1-yl)methanone;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone) is sourced from PubChem (CID 158767578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).