[(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone

C193H217BrN16O8 — CID 158476850

IUPAC[(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone
SMILESCC1(C)C[C@]2(CNC[C@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c2ccccc2O1.Cc1cc(C)c2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1cc2c(c(C)n1)[C@]1(CCC2)CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nc3c(cc12)CCCC3)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1ncc3c(c12)CCC3)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCOc1cc(Br)ccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C34H39N3O.C33H37N3O.2C32H37N3O.C32H36N2O2.C30H31BrN2O2/c38-33(37-19-17-26(24-10-3-1-4-11-24)21-32(37)25-12-5-2-6-13-25)29-22-35-23-34(29)18-9-16-31-28(34)20-27-14-7-8-15-30(27)36-31;37-32(28-21-34-22-33(28)17-8-15-29-31(33)27-14-7-13-26(27)20-35-29)36-18-16-25(23-9-3-1-4-10-23)19-30(36)24-11-5-2-6-12-24;1-22-18-27-14-9-16-32(30(27)23(2)34-22)21-33-20-28(32)31(36)35-17-15-26(24-10-5-3-6-11-24)19-29(35)25-12-7-4-8-13-25;1-22-18-23(2)34-28-14-9-16-32(30(22)28)21-33-20-27(32)31(36)35-17-15-26(24-10-5-3-6-11-24)19-29(35)25-12-7-4-8-13-25;1-31(2)21-32(26-15-9-10-16-29(26)36-31)22-33-20-27(32)30(35)34-18-17-25(23-11-5-3-6-12-23)19-28(34)24-13-7-4-8-14-24;31-24-11-12-25-28(18-24)35-16-14-30(25)20-32-19-26(30)29(34)33-15-13-23(21-7-3-1-4-8-21)17-27(33)22-9-5-2-6-10-22/h1-6,10-13,20,26,29,32,35H,7-9,14-19,21-23H2;1-6,9-12,20,25,28,30,34H,7-8,13-19,21-22H2;3-8,10-13,18,26,28-29,33H,9,14-17,19-21H2,1-2H3;3-8,10-13,18,26-27,29,33H,9,14-17,19-21H2,1-2H3;3-16,25,27-28,33H,17-22H2,1-2H3;1-12,18,23,26-27,32H,13-17,19-20H2/t26-,29+,32+,34+;25-,28+,30+,33-;26-,28+,29+,32-;26-,27+,29+,32-;25-,27+,28+,32+;23-,26+,27+,30+/m111111/s1
InChIKeyHHAVSLIEQSHNOQ-CJPJMIRVSA-N
MW2968.87 g/mol
LogP34.38
Rot. Bonds18

About [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone

[(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone (PubChem CID 158476850) has the molecular formula C193H217BrN16O8 and a molecular weight of 2968.87 g/mol. Its IUPAC name is [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone.

Molecular Properties

Compound Name[(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone
PubChem CID158476850
Molecular FormulaC193H217BrN16O8
Molecular Weight2968.87 g/mol
Exact Mass2965.62
IUPAC Name[(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone
SMILESCC1(C)C[C@]2(CNC[C@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c2ccccc2O1.Cc1cc(C)c2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1cc2c(c(C)n1)[C@]1(CCC2)CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nc3c(cc12)CCCC3)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1ncc3c(c12)CCC3)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCOc1cc(Br)ccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C34H39N3O.C33H37N3O.2C32H37N3O.C32H36N2O2.C30H31BrN2O2/c38-33(37-19-17-26(24-10-3-1-4-11-24)21-32(37)25-12-5-2-6-13-25)29-22-35-23-34(29)18-9-16-31-28(34)20-27-14-7-8-15-30(27)36-31;37-32(28-21-34-22-33(28)17-8-15-29-31(33)27-14-7-13-26(27)20-35-29)36-18-16-25(23-9-3-1-4-10-23)19-30(36)24-11-5-2-6-12-24;1-22-18-27-14-9-16-32(30(27)23(2)34-22)21-33-20-28(32)31(36)35-17-15-26(24-10-5-3-6-11-24)19-29(35)25-12-7-4-8-13-25;1-22-18-23(2)34-28-14-9-16-32(30(22)28)21-33-20-27(32)31(36)35-17-15-26(24-10-5-3-6-11-24)19-29(35)25-12-7-4-8-13-25;1-31(2)21-32(26-15-9-10-16-29(26)36-31)22-33-20-27(32)30(35)34-18-17-25(23-11-5-3-6-12-23)19-28(34)24-13-7-4-8-14-24;31-24-11-12-25-28(18-24)35-16-14-30(25)20-32-19-26(30)29(34)33-15-13-23(21-7-3-1-4-8-21)17-27(33)22-9-5-2-6-10-22/h1-6,10-13,20,26,29,32,35H,7-9,14-19,21-23H2;1-6,9-12,20,25,28,30,34H,7-8,13-19,21-22H2;3-8,10-13,18,26,28-29,33H,9,14-17,19-21H2,1-2H3;3-8,10-13,18,26-27,29,33H,9,14-17,19-21H2,1-2H3;3-16,25,27-28,33H,17-22H2,1-2H3;1-12,18,23,26-27,32H,13-17,19-20H2/t26-,29+,32+,34+;25-,28+,30+,33-;26-,28+,29+,32-;26-,27+,29+,32-;25-,27+,28+,32+;23-,26+,27+,30+/m111111/s1
InChIKeyHHAVSLIEQSHNOQ-CJPJMIRVSA-N
XLogP34.38
TPSA264.06 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002968.87
LogP ≤ 534.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone?
The IUPAC name of [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone (CID 158476850) is [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone.
What is the SMILES notation for [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone?
The canonical SMILES for [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone is CC1(C)C[C@]2(CNC[C@H]2C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c2ccccc2O1.Cc1cc(C)c2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1cc2c(c(C)n1)[C@]1(CCC2)CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nc3c(cc12)CCCC3)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1ncc3c(c12)CCC3)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCOc1cc(Br)ccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone?
The InChIKey is HHAVSLIEQSHNOQ-CJPJMIRVSA-N. The full InChI is InChI=1S/C34H39N3O.C33H37N3O.2C32H37N3O.C32H36N2O2.C30H31BrN2O2/c38-33(37-19-17-26(24-10-3-1-4-11-24)21-32(37)25-12-5-2-6-13-25)29-22-35-23-34(29)18-9-16-31-28(34)20-27-14-7-8-15-30(27)36-31;37-32(28-21-34-22-33(28)17-8-15-29-31(33)27-14-7-13-26(27)20-35-29)36-18-16-25(23-9-3-1-4-10-23)19-30(36)24-11-5-2-6-12-24;1-22-18-27-14-9-16-32(30(27)23(2)34-22)21-33-20-28(32)31(36)35-17-15-26(24-10-5-3-6-11-24)19-29(35)25-12-7-4-8-13-25;1-22-18-23(2)34-28-14-9-16-32(30(22)28)21-33-20-27(32)31(36)35-17-15-26(24-10-5-3-6-11-24)19-29(35)25-12-7-4-8-13-25;1-31(2)21-32(26-15-9-10-16-29(26)36-31)22-33-20-27(32)30(35)34-18-17-25(23-11-5-3-6-12-23)19-28(34)24-13-7-4-8-14-24;31-24-11-12-25-28(18-24)35-16-14-30(25)20-32-19-26(30)29(34)33-15-13-23(21-7-3-1-4-8-21)17-27(33)22-9-5-2-6-10-22/h1-6,10-13,20,26,29,32,35H,7-9,14-19,21-23H2;1-6,9-12,20,25,28,30,34H,7-8,13-19,21-22H2;3-8,10-13,18,26,28-29,33H,9,14-17,19-21H2,1-2H3;3-8,10-13,18,26-27,29,33H,9,14-17,19-21H2,1-2H3;3-16,25,27-28,33H,17-22H2,1-2H3;1-12,18,23,26-27,32H,13-17,19-20H2/t26-,29+,32+,34+;25-,28+,30+,33-;26-,28+,29+,32-;26-,27+,29+,32-;25-,27+,28+,32+;23-,26+,27+,30+/m111111/s1.
What are the key properties of [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone?
[(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone has a molecular weight of 2968.87 g/mol, XLogP of 34.38, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(3'S,4R)-7-bromospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,4R)-2,2-dimethylspiro[3H-chromene-4,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,8R)-1,3-dimethylspiro[6,7-dihydro-5H-isoquinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(3'S,5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,9R)-spiro[1,2,3,6,7,8-hexahydrocyclopenta[c]quinoline-9,4'-pyrrolidine]-3'-yl]methanone is sourced from PubChem (CID 158476850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).