tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen

C171H273N17O14S2 — CID 158203984

IUPACtert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen
SMILESCC(=O)NC1CCC2(CCN(CC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CC(C)(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H36N2O.C23H33N3O3.C21H30N2O3.C21H34N2O2S.C21H32N2O.C21H30N2O.C20H32N2O2S.C20H30N2O.8H2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-10-21(25-22(27)18-8-9-18)19-6-4-5-7-20(19)24;1-22(2,3)29-21(28)26-14-10-23(11-15-26)16-19(17-8-4-5-9-18(17)23)24-20(27)25-12-6-7-13-25;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;1-20(2,3)11-14-23-15-12-21(13-16-23)10-9-19(22-26(4,24)25)17-7-5-6-8-18(17)21;1-16(24)22-19-9-10-21(18-8-6-5-7-17(18)19)11-13-23(14-12-21)15-20(2,3)4;1-16(2)9-13-23-14-11-21(12-15-23)10-8-20(22-17(3)24)18-6-4-5-7-19(18)21;1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20;1-15(2)8-11-22-12-9-20(10-13-22)14-19(21-16(3)23)17-6-4-5-7-18(17)20;;;;;;;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,27);4-5,8-9,19H,6-7,10-16H2,1-3H3,(H,24,27);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);5-8,19,22H,9-16H2,1-4H3;5-8,19H,9-15H2,1-4H3,(H,22,24);4-7,9,20H,8,10-15H2,1-3H3,(H,22,24);4-7,16,19,21H,8-15H2,1-3H3;4-7,15,19H,8-14H2,1-3H3,(H,21,23);8*1H/t21-;4*19-;;2*19-;;;;;;;;/m00000.00......../s1
InChIKeyGBGSTPRKDDNOSA-KKPRNDIKSA-N
MW2855.30 g/mol
LogP32.87
Rot. Bonds28

About tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen

tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen (PubChem CID 158203984) has the molecular formula C171H273N17O14S2 and a molecular weight of 2855.30 g/mol. Its IUPAC name is tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen
PubChem CID158203984
Molecular FormulaC171H273N17O14S2
Molecular Weight2855.30 g/mol
Exact Mass2853.06
IUPAC Nametert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen
SMILESCC(=O)NC1CCC2(CCN(CC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CC(C)(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H36N2O.C23H33N3O3.C21H30N2O3.C21H34N2O2S.C21H32N2O.C21H30N2O.C20H32N2O2S.C20H30N2O.8H2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-10-21(25-22(27)18-8-9-18)19-6-4-5-7-20(19)24;1-22(2,3)29-21(28)26-14-10-23(11-15-26)16-19(17-8-4-5-9-18(17)23)24-20(27)25-12-6-7-13-25;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;1-20(2,3)11-14-23-15-12-21(13-16-23)10-9-19(22-26(4,24)25)17-7-5-6-8-18(17)21;1-16(24)22-19-9-10-21(18-8-6-5-7-17(18)19)11-13-23(14-12-21)15-20(2,3)4;1-16(2)9-13-23-14-11-21(12-15-23)10-8-20(22-17(3)24)18-6-4-5-7-19(18)21;1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20;1-15(2)8-11-22-12-9-20(10-13-22)14-19(21-16(3)23)17-6-4-5-7-18(17)20;;;;;;;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,27);4-5,8-9,19H,6-7,10-16H2,1-3H3,(H,24,27);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);5-8,19,22H,9-16H2,1-4H3;5-8,19H,9-15H2,1-4H3,(H,22,24);4-7,9,20H,8,10-15H2,1-3H3,(H,22,24);4-7,16,19,21H,8-15H2,1-3H3;4-7,15,19H,8-14H2,1-3H3,(H,21,23);8*1H/t21-;4*19-;;2*19-;;;;;;;;/m00000.00......../s1
InChIKeyGBGSTPRKDDNOSA-KKPRNDIKSA-N
XLogP32.87
TPSA348.70 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002855.30
LogP ≤ 532.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen?
The IUPAC name of tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen (CID 158203984) is tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen.
What is the SMILES notation for tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen?
The canonical SMILES for tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen is CC(=O)NC1CCC2(CCN(CC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CC(C)(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen?
The InChIKey is GBGSTPRKDDNOSA-KKPRNDIKSA-N. The full InChI is InChI=1S/C24H36N2O.C23H33N3O3.C21H30N2O3.C21H34N2O2S.C21H32N2O.C21H30N2O.C20H32N2O2S.C20H30N2O.8H2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-10-21(25-22(27)18-8-9-18)19-6-4-5-7-20(19)24;1-22(2,3)29-21(28)26-14-10-23(11-15-26)16-19(17-8-4-5-9-18(17)23)24-20(27)25-12-6-7-13-25;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;1-20(2,3)11-14-23-15-12-21(13-16-23)10-9-19(22-26(4,24)25)17-7-5-6-8-18(17)21;1-16(24)22-19-9-10-21(18-8-6-5-7-17(18)19)11-13-23(14-12-21)15-20(2,3)4;1-16(2)9-13-23-14-11-21(12-15-23)10-8-20(22-17(3)24)18-6-4-5-7-19(18)21;1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20;1-15(2)8-11-22-12-9-20(10-13-22)14-19(21-16(3)23)17-6-4-5-7-18(17)20;;;;;;;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,27);4-5,8-9,19H,6-7,10-16H2,1-3H3,(H,24,27);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);5-8,19,22H,9-16H2,1-4H3;5-8,19H,9-15H2,1-4H3,(H,22,24);4-7,9,20H,8,10-15H2,1-3H3,(H,22,24);4-7,16,19,21H,8-15H2,1-3H3;4-7,15,19H,8-14H2,1-3H3,(H,21,23);8*1H/t21-;4*19-;;2*19-;;;;;;;;/m00000.00......../s1.
What are the key properties of tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen?
tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen has a molecular weight of 2855.30 g/mol, XLogP of 32.87, 28 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 158203984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).