2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

C174H269N17O15S — CID 159368825

IUPAC2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
SMILESCC(=O)N[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CC(=O)O)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCCCC(C)(C)C#N)CC2)c2ccccc21.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)C1CC1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H38N2O.C24H35N3O.C23H34N2O.C22H30N2O3.C21H30N2O3.C21H34N2O2S.C21H32N2O.C17H22N2O3.7H2/c1-19(2)8-7-9-20(3)12-15-27-16-13-25(14-17-27)18-24(26-21(4)28)22-10-5-6-11-23(22)25;1-19(28)26-22-10-12-24(21-9-5-4-8-20(21)22)13-16-27(17-14-24)15-7-6-11-23(2,3)18-25;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-21(2,3)27-20(26)24-12-10-22(11-13-24)14-18(23-19(25)15-8-9-15)16-6-4-5-7-17(16)22;1-15(24)22-18-9-10-21(17-8-6-5-7-16(17)18)11-13-23(14-12-21)19(25)26-20(2,3)4;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(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;1-12(20)18-15-10-17(14-5-3-2-4-13(14)15)6-8-19(9-7-17)11-16(21)22;;;;;;;/h5-6,8,10-11,20,24H,7,9,12-18H2,1-4H3,(H,26,28);4-5,8-9,22H,6-7,10-17H2,1-3H3,(H,26,28);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);4-7,15,18H,8-14H2,1-3H3,(H,23,25);5-8,18H,9-14H2,1-4H3,(H,22,24);5-8,19,22H,9-16H2,1-4H3;4-7,16,20H,8-15H2,1-3H3,(H,22,24);2-5,15H,6-11H2,1H3,(H,18,20)(H,21,22);7*1H/t20?,24-;22-;21-;2*18-;19-;20-;15-;;;;;;;/m00001000......./s1
InChIKeyLJLYMHYHHZELMM-AKIBSKQDSA-N
MW2871.24 g/mol
LogP33.65
Rot. Bonds32

About 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (PubChem CID 159368825) has the molecular formula C174H269N17O15S and a molecular weight of 2871.24 g/mol. Its IUPAC name is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
PubChem CID159368825
Molecular FormulaC174H269N17O15S
Molecular Weight2871.24 g/mol
Exact Mass2869.05
IUPAC Name2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
SMILESCC(=O)N[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CC(=O)O)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCCCC(C)(C)C#N)CC2)c2ccccc21.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)C1CC1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H38N2O.C24H35N3O.C23H34N2O.C22H30N2O3.C21H30N2O3.C21H34N2O2S.C21H32N2O.C17H22N2O3.7H2/c1-19(2)8-7-9-20(3)12-15-27-16-13-25(14-17-27)18-24(26-21(4)28)22-10-5-6-11-23(22)25;1-19(28)26-22-10-12-24(21-9-5-4-8-20(21)22)13-16-27(17-14-24)15-7-6-11-23(2,3)18-25;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-21(2,3)27-20(26)24-12-10-22(11-13-24)14-18(23-19(25)15-8-9-15)16-6-4-5-7-17(16)22;1-15(24)22-18-9-10-21(17-8-6-5-7-16(17)18)11-13-23(14-12-21)19(25)26-20(2,3)4;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(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;1-12(20)18-15-10-17(14-5-3-2-4-13(14)15)6-8-19(9-7-17)11-16(21)22;;;;;;;/h5-6,8,10-11,20,24H,7,9,12-18H2,1-4H3,(H,26,28);4-5,8-9,22H,6-7,10-17H2,1-3H3,(H,26,28);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);4-7,15,18H,8-14H2,1-3H3,(H,23,25);5-8,18H,9-14H2,1-4H3,(H,22,24);5-8,19,22H,9-16H2,1-4H3;4-7,16,20H,8-15H2,1-3H3,(H,22,24);2-5,15H,6-11H2,1H3,(H,18,20)(H,21,22);7*1H/t20?,24-;22-;21-;2*18-;19-;20-;15-;;;;;;;/m00001000......./s1
InChIKeyLJLYMHYHHZELMM-AKIBSKQDSA-N
XLogP33.65
TPSA389.48 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002871.24
LogP ≤ 533.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen with MolForge

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Related Compounds

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
tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)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]acetamide;molecular hydrogen
CID 158405815
tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen
CID 161595736

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (CID 159368825) is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is CC(=O)N[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CC(=O)O)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCCCC(C)(C)C#N)CC2)c2ccccc21.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)C1CC1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is LJLYMHYHHZELMM-AKIBSKQDSA-N. The full InChI is InChI=1S/C25H38N2O.C24H35N3O.C23H34N2O.C22H30N2O3.C21H30N2O3.C21H34N2O2S.C21H32N2O.C17H22N2O3.7H2/c1-19(2)8-7-9-20(3)12-15-27-16-13-25(14-17-27)18-24(26-21(4)28)22-10-5-6-11-23(22)25;1-19(28)26-22-10-12-24(21-9-5-4-8-20(21)22)13-16-27(17-14-24)15-7-6-11-23(2,3)18-25;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-21(2,3)27-20(26)24-12-10-22(11-13-24)14-18(23-19(25)15-8-9-15)16-6-4-5-7-17(16)22;1-15(24)22-18-9-10-21(17-8-6-5-7-16(17)18)11-13-23(14-12-21)19(25)26-20(2,3)4;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(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;1-12(20)18-15-10-17(14-5-3-2-4-13(14)15)6-8-19(9-7-17)11-16(21)22;;;;;;;/h5-6,8,10-11,20,24H,7,9,12-18H2,1-4H3,(H,26,28);4-5,8-9,22H,6-7,10-17H2,1-3H3,(H,26,28);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);4-7,15,18H,8-14H2,1-3H3,(H,23,25);5-8,18H,9-14H2,1-4H3,(H,22,24);5-8,19,22H,9-16H2,1-4H3;4-7,16,20H,8-15H2,1-3H3,(H,22,24);2-5,15H,6-11H2,1H3,(H,18,20)(H,21,22);7*1H/t20?,24-;22-;21-;2*18-;19-;20-;15-;;;;;;;/m00001000......./s1.
What are the key properties of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 2871.24 g/mol, XLogP of 33.65, 32 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(5-cyano-5-methylhexyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)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]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 159368825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).