3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate

C286H363N39O20 — CID 161450273

IUPAC3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccn1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccncc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ncccn1)C(=O)N2CC1CCC1.COC(=O)c1ccccc1CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccc(C#N)cc1CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(Cc2cc(C#N)ccc2OC)C1=O.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(C)(C)C#N)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCOC3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccncn3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1
InChIInChI=1S/C34H37N5O3.C33H39N3O4.C29H35N5O2.C29H38N4O2.C29H39N3O3.C28H37N3O.2C27H36N4O.C26H35N5O.C24H31N3O2/c1-37(2)34(29-8-6-5-7-9-29)16-14-33(15-17-34)24-38(22-27-18-25(20-35)10-12-30(27)41-3)32(40)39(33)23-28-19-26(21-36)11-13-31(28)42-4;1-34(2)33(27-11-6-5-7-12-27)20-18-32(19-21-33)24-35(22-25-14-16-28(39-3)17-15-25)31(38)36(32)23-26-10-8-9-13-29(26)30(37)40-4;1-32(2)29(24-7-5-4-6-8-24)16-14-28(15-17-29)21-33(19-23-9-11-26(36-3)12-10-23)27(35)34(28)20-25-13-18-30-22-31-25;1-27(2,20-30)21-33-26(34)32(19-23-11-13-25(35-5)14-12-23)22-28(33)15-17-29(18-16-28,31(3)4)24-9-7-6-8-10-24;1-30(2)29(25-7-5-4-6-8-25)16-14-28(15-17-29)22-31(19-23-9-11-26(34-3)12-10-23)27(33)32(28)20-24-13-18-35-21-24;1-29(2)28(25-14-7-4-8-15-25)18-16-27(17-19-28)22-30(20-23-10-5-3-6-11-23)26(32)31(27)21-24-12-9-13-24;1-29(2)27(23-11-4-3-5-12-23)16-14-26(15-17-27)21-30(20-24-13-6-7-18-28-24)25(32)31(26)19-22-9-8-10-22;1-29(2)27(24-9-4-3-5-10-24)15-13-26(14-16-27)21-30(19-23-11-17-28-18-12-23)25(32)31(26)20-22-7-6-8-22;1-29(2)26(22-10-4-3-5-11-22)14-12-25(13-15-26)20-30(19-23-27-16-7-17-28-23)24(32)31(25)18-21-8-6-9-21;1-26(2)24(20-7-5-4-6-8-20)15-13-23(14-16-24)18-27(22(28)25-23)17-19-9-11-21(29-3)12-10-19/h5-13,18-19H,14-17,22-24H2,1-4H3;5-17H,18-24H2,1-4H3;4-13,18,22H,14-17,19-21H2,1-3H3;6-14H,15-19,21-22H2,1-5H3;4-12,24H,13-22H2,1-3H3;3-8,10-11,14-15,24H,9,12-13,16-22H2,1-2H3;3-7,11-13,18,22H,8-10,14-17,19-21H2,1-2H3;3-5,9-12,17-18,22H,6-8,13-16,19-21H2,1-2H3;3-5,7,10-11,16-17,21H,6,8-9,12-15,18-20H2,1-2H3;4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyWALBEFOYOTVJOG-UHFFFAOYSA-N
MW4667.30 g/mol
LogP49.58
Rot. Bonds66

About 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate

3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate (PubChem CID 161450273) has the molecular formula C286H363N39O20 and a molecular weight of 4667.30 g/mol. Its IUPAC name is 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate.

Molecular Properties

Compound Name3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate
PubChem CID161450273
Molecular FormulaC286H363N39O20
Molecular Weight4667.30 g/mol
Exact Mass4663.86
IUPAC Name3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccn1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccncc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ncccn1)C(=O)N2CC1CCC1.COC(=O)c1ccccc1CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccc(C#N)cc1CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(Cc2cc(C#N)ccc2OC)C1=O.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(C)(C)C#N)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCOC3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccncn3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1
InChIInChI=1S/C34H37N5O3.C33H39N3O4.C29H35N5O2.C29H38N4O2.C29H39N3O3.C28H37N3O.2C27H36N4O.C26H35N5O.C24H31N3O2/c1-37(2)34(29-8-6-5-7-9-29)16-14-33(15-17-34)24-38(22-27-18-25(20-35)10-12-30(27)41-3)32(40)39(33)23-28-19-26(21-36)11-13-31(28)42-4;1-34(2)33(27-11-6-5-7-12-27)20-18-32(19-21-33)24-35(22-25-14-16-28(39-3)17-15-25)31(38)36(32)23-26-10-8-9-13-29(26)30(37)40-4;1-32(2)29(24-7-5-4-6-8-24)16-14-28(15-17-29)21-33(19-23-9-11-26(36-3)12-10-23)27(35)34(28)20-25-13-18-30-22-31-25;1-27(2,20-30)21-33-26(34)32(19-23-11-13-25(35-5)14-12-23)22-28(33)15-17-29(18-16-28,31(3)4)24-9-7-6-8-10-24;1-30(2)29(25-7-5-4-6-8-25)16-14-28(15-17-29)22-31(19-23-9-11-26(34-3)12-10-23)27(33)32(28)20-24-13-18-35-21-24;1-29(2)28(25-14-7-4-8-15-25)18-16-27(17-19-28)22-30(20-23-10-5-3-6-11-23)26(32)31(27)21-24-12-9-13-24;1-29(2)27(23-11-4-3-5-12-23)16-14-26(15-17-27)21-30(20-24-13-6-7-18-28-24)25(32)31(26)19-22-9-8-10-22;1-29(2)27(24-9-4-3-5-10-24)15-13-26(14-16-27)21-30(19-23-11-17-28-18-12-23)25(32)31(26)20-22-7-6-8-22;1-29(2)26(22-10-4-3-5-11-22)14-12-25(13-15-26)20-30(19-23-27-16-7-17-28-23)24(32)31(25)18-21-8-6-9-21;1-26(2)24(20-7-5-4-6-8-20)15-13-23(14-16-24)18-27(22(28)25-23)17-19-9-11-21(29-3)12-10-19/h5-13,18-19H,14-17,22-24H2,1-4H3;5-17H,18-24H2,1-4H3;4-13,18,22H,14-17,19-21H2,1-3H3;6-14H,15-19,21-22H2,1-5H3;4-12,24H,13-22H2,1-3H3;3-8,10-11,14-15,24H,9,12-13,16-22H2,1-2H3;3-7,11-13,18,22H,8-10,14-17,19-21H2,1-2H3;3-5,9-12,17-18,22H,6-8,13-16,19-21H2,1-2H3;3-5,7,10-11,16-17,21H,6,8-9,12-15,18-20H2,1-2H3;4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyWALBEFOYOTVJOG-UHFFFAOYSA-N
XLogP49.58
TPSA525.54 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds66
Heavy Atoms345
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004667.30
LogP ≤ 549.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Analyze 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate?
The IUPAC name of 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate (CID 161450273) is 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate.
What is the SMILES notation for 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate?
The canonical SMILES for 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccn1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccncc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ncccn1)C(=O)N2CC1CCC1.COC(=O)c1ccccc1CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccc(C#N)cc1CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(Cc2cc(C#N)ccc2OC)C1=O.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(C)(C)C#N)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCOC3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccncn3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.
What is the InChIKey of 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate?
The InChIKey is WALBEFOYOTVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O3.C33H39N3O4.C29H35N5O2.C29H38N4O2.C29H39N3O3.C28H37N3O.2C27H36N4O.C26H35N5O.C24H31N3O2/c1-37(2)34(29-8-6-5-7-9-29)16-14-33(15-17-34)24-38(22-27-18-25(20-35)10-12-30(27)41-3)32(40)39(33)23-28-19-26(21-36)11-13-31(28)42-4;1-34(2)33(27-11-6-5-7-12-27)20-18-32(19-21-33)24-35(22-25-14-16-28(39-3)17-15-25)31(38)36(32)23-26-10-8-9-13-29(26)30(37)40-4;1-32(2)29(24-7-5-4-6-8-24)16-14-28(15-17-29)21-33(19-23-9-11-26(36-3)12-10-23)27(35)34(28)20-25-13-18-30-22-31-25;1-27(2,20-30)21-33-26(34)32(19-23-11-13-25(35-5)14-12-23)22-28(33)15-17-29(18-16-28,31(3)4)24-9-7-6-8-10-24;1-30(2)29(25-7-5-4-6-8-25)16-14-28(15-17-29)22-31(19-23-9-11-26(34-3)12-10-23)27(33)32(28)20-24-13-18-35-21-24;1-29(2)28(25-14-7-4-8-15-25)18-16-27(17-19-28)22-30(20-23-10-5-3-6-11-23)26(32)31(27)21-24-12-9-13-24;1-29(2)27(23-11-4-3-5-12-23)16-14-26(15-17-27)21-30(20-24-13-6-7-18-28-24)25(32)31(26)19-22-9-8-10-22;1-29(2)27(24-9-4-3-5-10-24)15-13-26(14-16-27)21-30(19-23-11-17-28-18-12-23)25(32)31(26)20-22-7-6-8-22;1-29(2)26(22-10-4-3-5-11-22)14-12-25(13-15-26)20-30(19-23-27-16-7-17-28-23)24(32)31(25)18-21-8-6-9-21;1-26(2)24(20-7-5-4-6-8-20)15-13-23(14-16-24)18-27(22(28)25-23)17-19-9-11-21(29-3)12-10-19/h5-13,18-19H,14-17,22-24H2,1-4H3;5-17H,18-24H2,1-4H3;4-13,18,22H,14-17,19-21H2,1-3H3;6-14H,15-19,21-22H2,1-5H3;4-12,24H,13-22H2,1-3H3;3-8,10-11,14-15,24H,9,12-13,16-22H2,1-2H3;3-7,11-13,18,22H,8-10,14-17,19-21H2,1-2H3;3-5,9-12,17-18,22H,6-8,13-16,19-21H2,1-2H3;3-5,7,10-11,16-17,21H,6,8-9,12-15,18-20H2,1-2H3;4-12H,13-18H2,1-3H3,(H,25,28).
What are the key properties of 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate?
3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate has a molecular weight of 4667.30 g/mol, XLogP of 49.58, 66 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[[1-[(5-cyano-2-methoxyphenyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-4-methoxybenzonitrile;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-2,2-dimethylpropanenitrile;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzoate is sourced from PubChem (CID 161450273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).