8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C244H291F9N42O13S — CID 157105509

IUPAC8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)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(c1cnc(-c3cc(F)c(F)c(F)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ccc4cccnc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CC3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC(O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1nc(-c3ccccc3)cs1)C(=O)N2.Cc1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.Cc1cccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c1.Cc1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H29N7O.C26H26F3N5O.C26H35N5O2.C25H34N6O2.C25H28N4OS.C23H26F3N3O2.C23H26F3N3O.3C23H29N3O/c1-32(2)27(21-8-4-3-5-9-21)13-11-26(12-14-27)19-34(25(35)31-26)22-17-29-24(30-18-22)33-16-10-20-7-6-15-28-23(20)33;1-33(2)26(18-6-4-3-5-7-18)10-8-25(9-11-26)16-34(24(35)32-25)19-14-30-23(31-15-19)17-12-20(27)22(29)21(28)13-17;1-30(2)26(21-6-4-3-5-7-21)12-10-25(11-13-26)19-31(24(32)29-25)22-17-27-23(28-18-22)16-20-8-14-33-15-9-20;1-29(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(33)28-24)20-16-26-22(27-17-20)30-14-8-21(32)9-15-30;1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(22(30)27-24)23-26-21(17-31-23)19-9-5-3-6-10-19;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)19-10-8-18(9-11-19)23(24,25)26;1-18-9-7-8-12-20(18)26-17-22(24-21(26)27)13-15-23(16-14-22,25(2)3)19-10-5-4-6-11-19;1-18-8-7-11-20(16-18)26-17-22(24-21(26)27)12-14-23(15-13-22,25(2)3)19-9-5-4-6-10-19;1-18-9-11-20(12-10-18)26-17-22(24-21(26)27)13-15-23(16-14-22,25(2)3)19-7-5-4-6-8-19/h3-10,15-18H,11-14,19H2,1-2H3,(H,31,35);3-7,12-15H,8-11,16H2,1-2H3,(H,32,35);3-7,17-18,20H,8-16,19H2,1-2H3,(H,29,32);3-7,16-17,21,32H,8-15,18H2,1-2H3,(H,28,33);3-12,17H,13-16,18H2,1-2H3,(H,27,30);3-10,15H,11-14,16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);4-12H,13-17H2,1-3H3,(H,24,27);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27)
InChIKeyAGGFUKRATJYJIQ-UHFFFAOYSA-N
MW4223.34 g/mol
LogP43.34
Rot. Bonds37

About 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 157105509) has the molecular formula C244H291F9N42O13S and a molecular weight of 4223.34 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID157105509
Molecular FormulaC244H291F9N42O13S
Molecular Weight4223.34 g/mol
Exact Mass4220.30
IUPAC Name8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)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(c1cnc(-c3cc(F)c(F)c(F)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ccc4cccnc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CC3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC(O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1nc(-c3ccccc3)cs1)C(=O)N2.Cc1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.Cc1cccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c1.Cc1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H29N7O.C26H26F3N5O.C26H35N5O2.C25H34N6O2.C25H28N4OS.C23H26F3N3O2.C23H26F3N3O.3C23H29N3O/c1-32(2)27(21-8-4-3-5-9-21)13-11-26(12-14-27)19-34(25(35)31-26)22-17-29-24(30-18-22)33-16-10-20-7-6-15-28-23(20)33;1-33(2)26(18-6-4-3-5-7-18)10-8-25(9-11-26)16-34(24(35)32-25)19-14-30-23(31-15-19)17-12-20(27)22(29)21(28)13-17;1-30(2)26(21-6-4-3-5-7-21)12-10-25(11-13-26)19-31(24(32)29-25)22-17-27-23(28-18-22)16-20-8-14-33-15-9-20;1-29(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(33)28-24)20-16-26-22(27-17-20)30-14-8-21(32)9-15-30;1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(22(30)27-24)23-26-21(17-31-23)19-9-5-3-6-10-19;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)19-10-8-18(9-11-19)23(24,25)26;1-18-9-7-8-12-20(18)26-17-22(24-21(26)27)13-15-23(16-14-22,25(2)3)19-10-5-4-6-11-19;1-18-8-7-11-20(16-18)26-17-22(24-21(26)27)12-14-23(15-13-22,25(2)3)19-9-5-4-6-10-19;1-18-9-11-20(12-10-18)26-17-22(24-21(26)27)13-15-23(16-14-22,25(2)3)19-7-5-4-6-8-19/h3-10,15-18H,11-14,19H2,1-2H3,(H,31,35);3-7,12-15H,8-11,16H2,1-2H3,(H,32,35);3-7,17-18,20H,8-16,19H2,1-2H3,(H,29,32);3-7,16-17,21,32H,8-15,18H2,1-2H3,(H,28,33);3-12,17H,13-16,18H2,1-2H3,(H,27,30);3-10,15H,11-14,16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);4-12H,13-17H2,1-3H3,(H,24,27);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27)
InChIKeyAGGFUKRATJYJIQ-UHFFFAOYSA-N
XLogP43.34
TPSA531.56 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds37
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004223.34
LogP ≤ 543.34
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 157105509) is 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)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(c1cnc(-c3cc(F)c(F)c(F)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ccc4cccnc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CC3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC(O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1nc(-c3ccccc3)cs1)C(=O)N2.Cc1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.Cc1cccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c1.Cc1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is AGGFUKRATJYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O.C26H26F3N5O.C26H35N5O2.C25H34N6O2.C25H28N4OS.C23H26F3N3O2.C23H26F3N3O.3C23H29N3O/c1-32(2)27(21-8-4-3-5-9-21)13-11-26(12-14-27)19-34(25(35)31-26)22-17-29-24(30-18-22)33-16-10-20-7-6-15-28-23(20)33;1-33(2)26(18-6-4-3-5-7-18)10-8-25(9-11-26)16-34(24(35)32-25)19-14-30-23(31-15-19)17-12-20(27)22(29)21(28)13-17;1-30(2)26(21-6-4-3-5-7-21)12-10-25(11-13-26)19-31(24(32)29-25)22-17-27-23(28-18-22)16-20-8-14-33-15-9-20;1-29(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(33)28-24)20-16-26-22(27-17-20)30-14-8-21(32)9-15-30;1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(22(30)27-24)23-26-21(17-31-23)19-9-5-3-6-10-19;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)19-10-8-18(9-11-19)23(24,25)26;1-18-9-7-8-12-20(18)26-17-22(24-21(26)27)13-15-23(16-14-22,25(2)3)19-10-5-4-6-11-19;1-18-8-7-11-20(16-18)26-17-22(24-21(26)27)12-14-23(15-13-22,25(2)3)19-9-5-4-6-10-19;1-18-9-11-20(12-10-18)26-17-22(24-21(26)27)13-15-23(16-14-22,25(2)3)19-7-5-4-6-8-19/h3-10,15-18H,11-14,19H2,1-2H3,(H,31,35);3-7,12-15H,8-11,16H2,1-2H3,(H,32,35);3-7,17-18,20H,8-16,19H2,1-2H3,(H,29,32);3-7,16-17,21,32H,8-15,18H2,1-2H3,(H,28,33);3-12,17H,13-16,18H2,1-2H3,(H,27,30);3-10,15H,11-14,16H2,1-2H3,(H,27,30);3-11H,12-16H2,1-2H3,(H,27,30);4-12H,13-17H2,1-3H3,(H,24,27);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 4223.34 g/mol, XLogP of 43.34, 37 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 157105509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).