[(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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

C150H189Cl2N15O6 — CID 161376452

About [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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

[(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 161376452) has the molecular formula C150H189Cl2N15O6 and a molecular weight of 2369.17 g/mol. Its IUPAC name is [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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: [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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: 161376452
• Molecular Formula: C150H189Cl2N15O6
• Molecular Weight: 2369.17 g/mol
• Exact Mass: 2366.43
• IUPAC Name: [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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: CCC(CC)[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CNC[C@]12CCCc1nc(C)ccc12.CCC(CC)[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12.Cc1ccc2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C(C)(C)C.O=C([C@@H]1CNC[C@]12CCCc1c2ccc[n+]1[O-])N1CC[C@@H](c2ccccc2)C[C@H]1C1CCCCC1.O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCC2(C=Cc3ccccc32)CC1c1ccccc1
• InChI: InChI=1S/C32H32ClN3O.C30H39N3O2.C30H41N3O.C29H38ClN3O.C29H39N3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23;34-29(26-20-31-21-30(26)16-7-14-27-25(30)13-8-17-33(27)35)32-18-15-24(22-9-3-1-4-10-22)19-28(32)23-11-5-2-6-12-23;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;1-3-20(4-2)26-17-22(21-9-6-5-7-10-21)14-16-33(26)28(34)24-18-31-19-29(24)15-8-11-25-23(29)12-13-27(30)32-25;1-20-12-13-23-25(31-20)11-8-15-29(23)19-30-18-24(29)27(33)32-16-14-22(17-26(32)28(2,3)4)21-9-6-5-7-10-21/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2;1,3-4,8-10,13,17,23-24,26,28,31H,2,5-7,11-12,14-16,18-21H2;6-8,10-11,13-14,22,24,26,28,31H,4-5,9,12,15-20H2,1-3H3;5-7,9-10,12-13,20,22,24,26,31H,3-4,8,11,14-19H2,1-2H3;5-7,9-10,12-13,22,24,26,30H,8,11,14-19H2,1-4H3/t26-,28?,31?,32-;2*24-,26+,28+,30+;2*22-,24+,26+,29+/m01111/s1
• InChIKey: VRDKWSDMMNLCBL-KNGSMPJDSA-N
• XLogP: 26.46
• TPSA: 240.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2369.17
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 161376452) is [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 CCC(CC)[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CNC[C@]12CCCc1nc(C)ccc12.CCC(CC)[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12.Cc1ccc2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C(C)(C)C.O=C([C@@H]1CNC[C@]12CCCc1c2ccc[n+]1[O-])N1CC[C@@H](c2ccccc2)C[C@H]1C1CCCCC1.O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCC2(C=Cc3ccccc32)CC1c1ccccc1.

What is the InChIKey of [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 VRDKWSDMMNLCBL-KNGSMPJDSA-N. The full InChI is InChI=1S/C32H32ClN3O.C30H39N3O2.C30H41N3O.C29H38ClN3O.C29H39N3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23;34-29(26-20-31-21-30(26)16-7-14-27-25(30)13-8-17-33(27)35)32-18-15-24(22-9-3-1-4-10-22)19-28(32)23-11-5-2-6-12-23;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;1-3-20(4-2)26-17-22(21-9-6-5-7-10-21)14-16-33(26)28(34)24-18-31-19-29(24)15-8-11-25-23(29)12-13-27(30)32-25;1-20-12-13-23-25(31-20)11-8-15-29(23)19-30-18-24(29)27(33)32-16-14-22(17-26(32)28(2,3)4)21-9-6-5-7-10-21/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2;1,3-4,8-10,13,17,23-24,26,28,31H,2,5-7,11-12,14-16,18-21H2;6-8,10-11,13-14,22,24,26,28,31H,4-5,9,12,15-20H2,1-3H3;5-7,9-10,12-13,20,22,24,26,31H,3-4,8,11,14-19H2,1-2H3;5-7,9-10,12-13,22,24,26,30H,8,11,14-19H2,1-4H3/t26-,28?,31?,32-;2*24-,26+,28+,30+;2*22-,24+,26+,29+/m01111/s1.

What are the key properties of [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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?

[(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 2369.17 g/mol, XLogP of 26.46, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4R)-2-tert-butyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-pentan-3-yl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-1-oxidospiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-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 161376452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).