[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone

C187H204F3N21O6 — CID 158649781

IUPAC[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
SMILESCc1ccnc2c1[C@]1(CCC2)CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1cnc2c(c1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1ncc2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nc(-c3ccccc3)ncc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nccc(C(F)(F)F)c12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nccnc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C35H36N4O.C31H32F3N3O.2C31H35N3O.C30H34N4O.C29H32N4O/c40-34(39-20-18-28(25-11-4-1-5-12-25)21-32(39)26-13-6-2-7-14-26)30-22-36-24-35(30)19-10-17-31-29(35)23-37-33(38-31)27-15-8-3-9-16-27;32-31(33,34)24-13-16-36-26-12-7-15-30(28(24)26)20-35-19-25(30)29(38)37-17-14-23(21-8-3-1-4-9-21)18-27(37)22-10-5-2-6-11-22;1-22-14-17-33-27-13-8-16-31(29(22)27)21-32-20-26(31)30(35)34-18-15-25(23-9-4-2-5-10-23)19-28(34)24-11-6-3-7-12-24;1-22-17-26-13-8-15-31(29(26)33-19-22)21-32-20-27(31)30(35)34-16-14-25(23-9-4-2-5-10-23)18-28(34)24-11-6-3-7-12-24;1-21-32-19-25-27(33-21)13-8-15-30(25)20-31-18-26(30)29(35)34-16-14-24(22-9-4-2-5-10-22)17-28(34)23-11-6-3-7-12-23;34-28(24-19-30-20-29(24)14-7-12-25-27(29)32-16-15-31-25)33-17-13-23(21-8-3-1-4-9-21)18-26(33)22-10-5-2-6-11-22/h1-9,11-16,23,28,30,32,36H,10,17-22,24H2;1-6,8-11,13,16,23,25,27,35H,7,12,14-15,17-20H2;2-7,9-12,14,17,25-26,28,32H,8,13,15-16,18-21H2,1H3;2-7,9-12,17,19,25,27-28,32H,8,13-16,18,20-21H2,1H3;2-7,9-12,19,24,26,28,31H,8,13-18,20H2,1H3;1-6,8-11,15-16,23-24,26,30H,7,12-14,17-20H2/t28-,30+,32+,35+;23-,25+,27+,30-;25-,26+,28+,31-;25-,27+,28+,31-;24-,26+,28+,30+;23-,24+,26+,29-/m111111/s1
InChIKeyIBKCZPCBIJRKFW-RCHGPDHOSA-N
MW2898.82 g/mol
LogP31.93
Rot. Bonds19

About [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone

[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone (PubChem CID 158649781) has the molecular formula C187H204F3N21O6 and a molecular weight of 2898.82 g/mol. Its IUPAC name is [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
PubChem CID158649781
Molecular FormulaC187H204F3N21O6
Molecular Weight2898.82 g/mol
Exact Mass2896.63
IUPAC Name[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
SMILESCc1ccnc2c1[C@]1(CCC2)CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1cnc2c(c1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1ncc2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nc(-c3ccccc3)ncc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nccc(C(F)(F)F)c12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nccnc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C35H36N4O.C31H32F3N3O.2C31H35N3O.C30H34N4O.C29H32N4O/c40-34(39-20-18-28(25-11-4-1-5-12-25)21-32(39)26-13-6-2-7-14-26)30-22-36-24-35(30)19-10-17-31-29(35)23-37-33(38-31)27-15-8-3-9-16-27;32-31(33,34)24-13-16-36-26-12-7-15-30(28(24)26)20-35-19-25(30)29(38)37-17-14-23(21-8-3-1-4-9-21)18-27(37)22-10-5-2-6-11-22;1-22-14-17-33-27-13-8-16-31(29(22)27)21-32-20-26(31)30(35)34-18-15-25(23-9-4-2-5-10-23)19-28(34)24-11-6-3-7-12-24;1-22-17-26-13-8-15-31(29(26)33-19-22)21-32-20-27(31)30(35)34-16-14-25(23-9-4-2-5-10-23)18-28(34)24-11-6-3-7-12-24;1-21-32-19-25-27(33-21)13-8-15-30(25)20-31-18-26(30)29(35)34-16-14-24(22-9-4-2-5-10-22)17-28(34)23-11-6-3-7-12-23;34-28(24-19-30-20-29(24)14-7-12-25-27(29)32-16-15-31-25)33-17-13-23(21-8-3-1-4-9-21)18-26(33)22-10-5-2-6-11-22/h1-9,11-16,23,28,30,32,36H,10,17-22,24H2;1-6,8-11,13,16,23,25,27,35H,7,12,14-15,17-20H2;2-7,9-12,14,17,25-26,28,32H,8,13,15-16,18-21H2,1H3;2-7,9-12,17,19,25,27-28,32H,8,13-16,18,20-21H2,1H3;2-7,9-12,19,24,26,28,31H,8,13-18,20H2,1H3;1-6,8-11,15-16,23-24,26,30H,7,12-14,17-20H2/t28-,30+,32+,35+;23-,25+,27+,30-;25-,26+,28+,31-;25-,27+,28+,31-;24-,26+,28+,30+;23-,24+,26+,29-/m111111/s1
InChIKeyIBKCZPCBIJRKFW-RCHGPDHOSA-N
XLogP31.93
TPSA310.05 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002898.82
LogP ≤ 531.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone?
The IUPAC name of [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone (CID 158649781) is [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone.
What is the SMILES notation for [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone?
The canonical SMILES for [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone is Cc1ccnc2c1[C@]1(CCC2)CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1cnc2c(c1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.Cc1ncc2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nc(-c3ccccc3)ncc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nccc(C(F)(F)F)c12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.O=C([C@@H]1CNC[C@]12CCCc1nccnc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone?
The InChIKey is IBKCZPCBIJRKFW-RCHGPDHOSA-N. The full InChI is InChI=1S/C35H36N4O.C31H32F3N3O.2C31H35N3O.C30H34N4O.C29H32N4O/c40-34(39-20-18-28(25-11-4-1-5-12-25)21-32(39)26-13-6-2-7-14-26)30-22-36-24-35(30)19-10-17-31-29(35)23-37-33(38-31)27-15-8-3-9-16-27;32-31(33,34)24-13-16-36-26-12-7-15-30(28(24)26)20-35-19-25(30)29(38)37-17-14-23(21-8-3-1-4-9-21)18-27(37)22-10-5-2-6-11-22;1-22-14-17-33-27-13-8-16-31(29(22)27)21-32-20-26(31)30(35)34-18-15-25(23-9-4-2-5-10-23)19-28(34)24-11-6-3-7-12-24;1-22-17-26-13-8-15-31(29(26)33-19-22)21-32-20-27(31)30(35)34-16-14-25(23-9-4-2-5-10-23)18-28(34)24-11-6-3-7-12-24;1-21-32-19-25-27(33-21)13-8-15-30(25)20-31-18-26(30)29(35)34-16-14-24(22-9-4-2-5-10-22)17-28(34)23-11-6-3-7-12-23;34-28(24-19-30-20-29(24)14-7-12-25-27(29)32-16-15-31-25)33-17-13-23(21-8-3-1-4-9-21)18-26(33)22-10-5-2-6-11-22/h1-9,11-16,23,28,30,32,36H,10,17-22,24H2;1-6,8-11,13,16,23,25,27,35H,7,12,14-15,17-20H2;2-7,9-12,14,17,25-26,28,32H,8,13,15-16,18-21H2,1H3;2-7,9-12,17,19,25,27-28,32H,8,13-16,18,20-21H2,1H3;2-7,9-12,19,24,26,28,31H,8,13-18,20H2,1H3;1-6,8-11,15-16,23-24,26,30H,7,12-14,17-20H2/t28-,30+,32+,35+;23-,25+,27+,30-;25-,26+,28+,31-;25-,27+,28+,31-;24-,26+,28+,30+;23-,24+,26+,29-/m111111/s1.
What are the key properties of [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone?
[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone has a molecular weight of 2898.82 g/mol, XLogP of 31.93, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-methylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-2-phenylspiro[7,8-dihydro-6H-quinazoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-spiro[6,7-dihydro-5H-quinoxaline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone is sourced from PubChem (CID 158649781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).