[(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone

C156H171Cl2FN12O8 — CID 159441341

About [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone

[(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone (PubChem CID 159441341) has the molecular formula C156H171Cl2FN12O8 and a molecular weight of 2432.06 g/mol. Its IUPAC name is [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone.

Molecular Properties

• Compound Name: [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone
• PubChem CID: 159441341
• Molecular Formula: C156H171Cl2FN12O8
• Molecular Weight: 2432.06 g/mol
• Exact Mass: 2429.27
• IUPAC Name: [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone
• SMILES: CC1C[C@]2(CNC[C@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c2ccccc2O1.CCCCC1C[C@]2(CNC[C@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c2ccccc2O1.Cc1cccc(C2CC(c3ccccc3)CCN2C(=O)[C@@H]2CNC[C@]23CCCc2nc(Cl)ccc23)c1.O=C(C1CNCC12CCCc1nc(Cl)ccc12)N1CCC(c2ccccc2)CC1c1ccccc1F.O=C([C@@H]1CNC[C@]12CCOc1ccccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1
• InChI: InChI=1S/C34H40N2O2.C31H34ClN3O.C31H34N2O2.C30H31ClFN3O.C30H32N2O2/c1-2-3-16-28-22-34(29-17-10-11-18-32(29)38-28)24-35-23-30(34)33(37)36-20-19-27(25-12-6-4-7-13-25)21-31(36)26-14-8-5-9-15-26;1-21-7-5-10-24(17-21)28-18-23(22-8-3-2-4-9-22)14-16-35(28)30(36)26-19-33-20-31(26)15-6-11-27-25(31)12-13-29(32)34-27;1-22-19-31(26-14-8-9-15-29(26)35-22)21-32-20-27(31)30(34)33-17-16-25(23-10-4-2-5-11-23)18-28(33)24-12-6-3-7-13-24;31-28-13-12-23-26(34-28)11-6-15-30(23)19-33-18-24(30)29(36)35-16-14-21(20-7-2-1-3-8-20)17-27(35)22-9-4-5-10-25(22)32;33-29(26-20-31-21-30(26)16-18-34-28-14-8-7-13-25(28)30)32-17-15-24(22-9-3-1-4-10-22)19-27(32)23-11-5-2-6-12-23/h4-15,17-18,27-28,30-31,35H,2-3,16,19-24H2,1H3;2-5,7-10,12-13,17,23,26,28,33H,6,11,14-16,18-20H2,1H3;2-15,22,25,27-28,32H,16-21H2,1H3;1-5,7-10,12-13,21,24,27,33H,6,11,14-19H2;1-14,24,26-27,31H,15-21H2/t27-,28?,30+,31+,34+;23?,26-,28?,31-;22?,25-,27+,28+,31+;;24-,26+,27+,30+/m101.1/s1
• InChIKey: LSFDTQUJBBESIP-NZUFUYICSA-N
• XLogP: 28.97
• TPSA: 215.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.06
LogP ≤ 5	28.97
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,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone?

The IUPAC name of [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone (CID 159441341) is [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone.

What is the SMILES notation for [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone?

The canonical SMILES for [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone is CC1C[C@]2(CNC[C@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c2ccccc2O1.CCCCC1C[C@]2(CNC[C@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c2ccccc2O1.Cc1cccc(C2CC(c3ccccc3)CCN2C(=O)[C@@H]2CNC[C@]23CCCc2nc(Cl)ccc23)c1.O=C(C1CNCC12CCCc1nc(Cl)ccc12)N1CCC(c2ccccc2)CC1c1ccccc1F.O=C([C@@H]1CNC[C@]12CCOc1ccccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.

What is the InChIKey of [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone?

The InChIKey is LSFDTQUJBBESIP-NZUFUYICSA-N. The full InChI is InChI=1S/C34H40N2O2.C31H34ClN3O.C31H34N2O2.C30H31ClFN3O.C30H32N2O2/c1-2-3-16-28-22-34(29-17-10-11-18-32(29)38-28)24-35-23-30(34)33(37)36-20-19-27(25-12-6-4-7-13-25)21-31(36)26-14-8-5-9-15-26;1-21-7-5-10-24(17-21)28-18-23(22-8-3-2-4-9-22)14-16-35(28)30(36)26-19-33-20-31(26)15-6-11-27-25(31)12-13-29(32)34-27;1-22-19-31(26-14-8-9-15-29(26)35-22)21-32-20-27(31)30(34)33-17-16-25(23-10-4-2-5-11-23)18-28(33)24-12-6-3-7-13-24;31-28-13-12-23-26(34-28)11-6-15-30(23)19-33-18-24(30)29(36)35-16-14-21(20-7-2-1-3-8-20)17-27(35)22-9-4-5-10-25(22)32;33-29(26-20-31-21-30(26)16-18-34-28-14-8-7-13-25(28)30)32-17-15-24(22-9-3-1-4-10-22)19-27(32)23-11-5-2-6-12-23/h4-15,17-18,27-28,30-31,35H,2-3,16,19-24H2,1H3;2-5,7-10,12-13,17,23,26,28,33H,6,11,14-16,18-20H2,1H3;2-15,22,25,27-28,32H,16-21H2,1H3;1-5,7-10,12-13,21,24,27,33H,6,11,14-19H2;1-14,24,26-27,31H,15-21H2/t27-,28?,30+,31+,34+;23?,26-,28?,31-;22?,25-,27+,28+,31+;;24-,26+,27+,30+/m101.1/s1.

What are the key properties of [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone?

[(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone has a molecular weight of 2432.06 g/mol, XLogP of 28.97, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-fluorophenyl)-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[2-(3-methylphenyl)-4-phenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-2-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]methanone is sourced from PubChem (CID 159441341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).