3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

C237H280F9N33O22 — CID 159798943

IUPAC3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)NCC3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)OCO3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc3ncccc13)C(=O)N2.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COC(=O)c1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.COC(=O)c1cccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c1.COC(=O)c1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H28N4O.C24H30N4O3.C24H30N4O.3C24H29N3O3.2C23H26F3N3O2.C23H26F3N3O.C23H27N3O3/c1-28(2)25(19-8-4-3-5-9-19)15-13-24(14-16-25)18-29(23(30)27-24)22-12-6-11-21-20(22)10-7-17-26-21;1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18;1-27(2)24(19-6-4-3-5-7-19)13-11-23(12-14-24)17-28(22(29)26-23)20-9-8-18-10-15-25-21(18)16-20;1-26(2)24(19-9-5-4-6-10-19)14-12-23(13-15-24)17-27(22(29)25-23)20-11-7-8-18(16-20)21(28)30-3;1-26(2)24(18-9-5-4-6-10-18)15-13-23(14-16-24)17-27(22(29)25-23)20-12-8-7-11-19(20)21(28)30-3;1-26(2)24(19-7-5-4-6-8-19)15-13-23(14-16-24)17-27(22(29)25-23)20-11-9-18(10-12-20)21(28)30-3;1-28(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-29(20(30)27-21)18-9-6-10-19(15-18)31-23(24,25)26;1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)18-8-10-19(11-9-18)31-23(24,25)26;1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)19-10-8-18(9-11-19)23(24,25)26;1-25(2)23(17-6-4-3-5-7-17)12-10-22(11-13-23)15-26(21(27)24-22)18-8-9-19-20(14-18)29-16-28-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,30);5-9,14-15H,10-13,16H2,1-4H3,(H,26,30);3-9,16,25H,10-15,17H2,1-2H3,(H,26,29);4-11,16H,12-15,17H2,1-3H3,(H,25,29);2*4-12H,13-17H2,1-3H3,(H,25,29);3-10,15H,11-14,16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);3-9,14H,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyNJNOSAOUPXNBRY-UHFFFAOYSA-N
MW4114.04 g/mol
LogP41.77
Rot. Bonds36

About 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (PubChem CID 159798943) has the molecular formula C237H280F9N33O22 and a molecular weight of 4114.04 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
PubChem CID159798943
Molecular FormulaC237H280F9N33O22
Molecular Weight4114.04 g/mol
Exact Mass4111.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)NCC3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)OCO3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc3ncccc13)C(=O)N2.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COC(=O)c1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.COC(=O)c1cccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c1.COC(=O)c1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H28N4O.C24H30N4O3.C24H30N4O.3C24H29N3O3.2C23H26F3N3O2.C23H26F3N3O.C23H27N3O3/c1-28(2)25(19-8-4-3-5-9-19)15-13-24(14-16-25)18-29(23(30)27-24)22-12-6-11-21-20(22)10-7-17-26-21;1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18;1-27(2)24(19-6-4-3-5-7-19)13-11-23(12-14-24)17-28(22(29)26-23)20-9-8-18-10-15-25-21(18)16-20;1-26(2)24(19-9-5-4-6-10-19)14-12-23(13-15-24)17-27(22(29)25-23)20-11-7-8-18(16-20)21(28)30-3;1-26(2)24(18-9-5-4-6-10-18)15-13-23(14-16-24)17-27(22(29)25-23)20-12-8-7-11-19(20)21(28)30-3;1-26(2)24(19-7-5-4-6-8-19)15-13-23(14-16-24)17-27(22(29)25-23)20-11-9-18(10-12-20)21(28)30-3;1-28(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-29(20(30)27-21)18-9-6-10-19(15-18)31-23(24,25)26;1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)18-8-10-19(11-9-18)31-23(24,25)26;1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)19-10-8-18(9-11-19)23(24,25)26;1-25(2)23(17-6-4-3-5-7-17)12-10-22(11-13-23)15-26(21(27)24-22)18-8-9-19-20(14-18)29-16-28-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,30);5-9,14-15H,10-13,16H2,1-4H3,(H,26,30);3-9,16,25H,10-15,17H2,1-2H3,(H,26,29);4-11,16H,12-15,17H2,1-3H3,(H,25,29);2*4-12H,13-17H2,1-3H3,(H,25,29);3-10,15H,11-14,16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);3-9,14H,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyNJNOSAOUPXNBRY-UHFFFAOYSA-N
XLogP41.77
TPSA535.73 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004114.04
LogP ≤ 541.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-(1,3-Benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate
CID 160917638
CID 161368701
CID 161368701
3-(1,3-Benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate
CID 158437552
N-(7-acetamido-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-methyl-1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide;ethyl 5-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-2-carboxylate
CID 160014114
3-(1,3-Benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate
CID 161214364

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (CID 159798943) is 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)NCC3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)OCO3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc3ncccc13)C(=O)N2.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COC(=O)c1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.COC(=O)c1cccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c1.COC(=O)c1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The InChIKey is NJNOSAOUPXNBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.C24H30N4O3.C24H30N4O.3C24H29N3O3.2C23H26F3N3O2.C23H26F3N3O.C23H27N3O3/c1-28(2)25(19-8-4-3-5-9-19)15-13-24(14-16-25)18-29(23(30)27-24)22-12-6-11-21-20(22)10-7-17-26-21;1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18;1-27(2)24(19-6-4-3-5-7-19)13-11-23(12-14-24)17-28(22(29)26-23)20-9-8-18-10-15-25-21(18)16-20;1-26(2)24(19-9-5-4-6-10-19)14-12-23(13-15-24)17-27(22(29)25-23)20-11-7-8-18(16-20)21(28)30-3;1-26(2)24(18-9-5-4-6-10-18)15-13-23(14-16-24)17-27(22(29)25-23)20-12-8-7-11-19(20)21(28)30-3;1-26(2)24(19-7-5-4-6-8-19)15-13-23(14-16-24)17-27(22(29)25-23)20-11-9-18(10-12-20)21(28)30-3;1-28(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-29(20(30)27-21)18-9-6-10-19(15-18)31-23(24,25)26;1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)18-8-10-19(11-9-18)31-23(24,25)26;1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)19-10-8-18(9-11-19)23(24,25)26;1-25(2)23(17-6-4-3-5-7-17)12-10-22(11-13-23)15-26(21(27)24-22)18-8-9-19-20(14-18)29-16-28-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,30);5-9,14-15H,10-13,16H2,1-4H3,(H,26,30);3-9,16,25H,10-15,17H2,1-2H3,(H,26,29);4-11,16H,12-15,17H2,1-3H3,(H,25,29);2*4-12H,13-17H2,1-3H3,(H,25,29);3-10,15H,11-14,16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);3-9,14H,10-13,15-16H2,1-2H3,(H,24,27).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate has a molecular weight of 4114.04 g/mol, XLogP of 41.77, 36 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 159798943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).