[(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone

C142H176Cl4FN15O5 — CID 161095463

About [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone (PubChem CID 161095463) has the molecular formula C142H176Cl4FN15O5 and a molecular weight of 2333.88 g/mol. Its IUPAC name is [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone
• PubChem CID: 161095463
• Molecular Formula: C142H176Cl4FN15O5
• Molecular Weight: 2333.88 g/mol
• Exact Mass: 2330.27
• IUPAC Name: [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone
• SMILES: CC(C)CC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.CCC(CC)[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CNC[C@]12CCCc1nc(C)ccc12.CCCC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.CCCC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.O=C([C@@H]1CNCC12CCCc1nc(Cl)ccc12)N1CCC(c2ccccc2)CC1c1ccc(F)cc1
• InChI: InChI=1S/C30H31ClFN3O.C30H41N3O.C28H36ClN3O.2C27H34ClN3O/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;1-4-22(5-2)28-18-24(23-10-7-6-8-11-23)15-17-33(28)29(34)26-19-31-20-30(26)16-9-12-27-25(30)14-13-21(3)32-27;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;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/h1-3,5-6,8-13,22,25,27,33H,4,7,14-19H2;6-8,10-11,13-14,22,24,26,28,31H,4-5,9,12,15-20H2,1-3H3;3-5,7-8,10-11,19,21-22,24,30H,6,9,12-18H2,1-2H3;2*3-5,8-9,11-12,20-21,23,29H,2,6-7,10,13-18H2,1H3/t22?,25-,27?,30?;24-,26+,28+,30+;21?,22?,24-,28?;2*20?,21?,23-,27?/m01000/s1
• InChIKey: UHSRHMKBNWPNNQ-WCBUMRNQSA-N
• XLogP: 26.77
• TPSA: 226.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.88
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone?

The IUPAC name of [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone (CID 161095463) is [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone.

What is the SMILES notation for [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone?

The canonical SMILES for [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone is CC(C)CC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.CCC(CC)[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CNC[C@]12CCCc1nc(C)ccc12.CCCC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.CCCC1CC(c2ccccc2)CCN1C(=O)[C@@H]1CNCC12CCCc1nc(Cl)ccc12.O=C([C@@H]1CNCC12CCCc1nc(Cl)ccc12)N1CCC(c2ccccc2)CC1c1ccc(F)cc1.

What is the InChIKey of [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone?

The InChIKey is UHSRHMKBNWPNNQ-WCBUMRNQSA-N. The full InChI is InChI=1S/C30H31ClFN3O.C30H41N3O.C28H36ClN3O.2C27H34ClN3O/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;1-4-22(5-2)28-18-24(23-10-7-6-8-11-23)15-17-33(28)29(34)26-19-31-20-30(26)16-9-12-27-25(30)14-13-21(3)32-27;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;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/h1-3,5-6,8-13,22,25,27,33H,4,7,14-19H2;6-8,10-11,13-14,22,24,26,28,31H,4-5,9,12,15-20H2,1-3H3;3-5,7-8,10-11,19,21-22,24,30H,6,9,12-18H2,1-2H3;2*3-5,8-9,11-12,20-21,23,29H,2,6-7,10,13-18H2,1H3/t22?,25-,27?,30?;24-,26+,28+,30+;21?,22?,24-,28?;2*20?,21?,23-,27?/m01000/s1.

What are the key properties of [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone has a molecular weight of 2333.88 g/mol, XLogP of 26.77, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(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;bis([(3'S)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(4-phenyl-2-propylpiperidin-1-yl)methanone);[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 161095463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).