1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide

C226H312N36O23S — CID 161022283

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(=O)[nH]1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccnc(C#N)n1)C(=O)N2CC1CCC1.CNC(=O)CCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1.COc1ccnc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.COc1ncc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/2C30H41N5O3.C30H40N4O3S.C29H36N6O2.C29H38N4O3.C26H39N5O3.C26H38N4O3.C26H39N3O3/c1-33(2)30(24-10-5-4-6-11-24)17-15-29(16-18-30)22-34(28(37)35(29)20-23-8-7-9-23)21-25(36)12-13-26-31-19-14-27(32-26)38-3;1-33(2)30(25-10-5-4-6-11-25)16-14-29(15-17-30)22-34(28(37)35(29)20-23-8-7-9-23)21-26(36)13-12-24-18-31-27(38-3)32-19-24;1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)38(3)37;1-33(2)29(23-9-4-3-5-10-23)14-12-28(13-15-29)21-34(27(37)35(28)19-22-7-6-8-22)20-25(36)17-24-11-16-31-26(18-30)32-24;1-31(2)29(23-10-4-3-5-11-23)16-14-28(15-17-29)21-32(27(36)33(28)19-22-8-6-9-22)20-25(34)18-24-12-7-13-26(35)30-24;1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20;1-27-23(32)12-11-22(31)18-29-19-25(30(24(29)33)17-20-7-6-8-20)13-15-26(28-2,16-14-25)21-9-4-3-5-10-21;1-27(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-28(19-23(31)12-7-17-30)24(32)29(25)18-21-8-6-9-21/h4-6,10-11,14,19,23H,7-9,12-13,15-18,20-22H2,1-3H3;4-6,10-11,18-19,23H,7-9,12-17,20-22H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-11,16,22H,6-8,12-15,17,19-21H2,1-2H3;3-5,7,10-13,22H,6,8-9,14-21H2,1-2H3,(H,30,35);4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32);3-5,9-10,20,28H,6-8,11-19H2,1-2H3,(H,27,32);3-5,10-11,21,30H,6-9,12-20H2,1-2H3
InChIKeyTYNNIJKJDHMGLA-UHFFFAOYSA-N
MW3933.28 g/mol
LogP29.40
Rot. Bonds71

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide

1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide (PubChem CID 161022283) has the molecular formula C226H312N36O23S and a molecular weight of 3933.28 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide
PubChem CID161022283
Molecular FormulaC226H312N36O23S
Molecular Weight3933.28 g/mol
Exact Mass3930.41
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(=O)[nH]1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccnc(C#N)n1)C(=O)N2CC1CCC1.CNC(=O)CCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1.COc1ccnc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.COc1ncc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/2C30H41N5O3.C30H40N4O3S.C29H36N6O2.C29H38N4O3.C26H39N5O3.C26H38N4O3.C26H39N3O3/c1-33(2)30(24-10-5-4-6-11-24)17-15-29(16-18-30)22-34(28(37)35(29)20-23-8-7-9-23)21-25(36)12-13-26-31-19-14-27(32-26)38-3;1-33(2)30(25-10-5-4-6-11-25)16-14-29(15-17-30)22-34(28(37)35(29)20-23-8-7-9-23)21-26(36)13-12-24-18-31-27(38-3)32-19-24;1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)38(3)37;1-33(2)29(23-9-4-3-5-10-23)14-12-28(13-15-29)21-34(27(37)35(28)19-22-7-6-8-22)20-25(36)17-24-11-16-31-26(18-30)32-24;1-31(2)29(23-10-4-3-5-11-23)16-14-28(15-17-29)21-32(27(36)33(28)19-22-8-6-9-22)20-25(34)18-24-12-7-13-26(35)30-24;1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20;1-27-23(32)12-11-22(31)18-29-19-25(30(24(29)33)17-20-7-6-8-20)13-15-26(28-2,16-14-25)21-9-4-3-5-10-21;1-27(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-28(19-23(31)12-7-17-30)24(32)29(25)18-21-8-6-9-21/h4-6,10-11,14,19,23H,7-9,12-13,15-18,20-22H2,1-3H3;4-6,10-11,18-19,23H,7-9,12-17,20-22H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-11,16,22H,6-8,12-15,17,19-21H2,1-2H3;3-5,7,10-13,22H,6,8-9,14-21H2,1-2H3,(H,30,35);4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32);3-5,9-10,20,28H,6-8,11-19H2,1-2H3,(H,27,32);3-5,10-11,21,30H,6-9,12-20H2,1-2H3
InChIKeyTYNNIJKJDHMGLA-UHFFFAOYSA-N
XLogP29.40
TPSA655.32 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds71
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003933.28
LogP ≤ 529.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide (CID 161022283) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(=O)[nH]1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1cccc(S(C)=O)n1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccnc(C#N)n1)C(=O)N2CC1CCC1.CNC(=O)CCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1.COc1ccnc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.COc1ncc(CCC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide?
The InChIKey is TYNNIJKJDHMGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H41N5O3.C30H40N4O3S.C29H36N6O2.C29H38N4O3.C26H39N5O3.C26H38N4O3.C26H39N3O3/c1-33(2)30(24-10-5-4-6-11-24)17-15-29(16-18-30)22-34(28(37)35(29)20-23-8-7-9-23)21-25(36)12-13-26-31-19-14-27(32-26)38-3;1-33(2)30(25-10-5-4-6-11-25)16-14-29(15-17-30)22-34(28(37)35(29)20-23-8-7-9-23)21-26(36)13-12-24-18-31-27(38-3)32-19-24;1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)38(3)37;1-33(2)29(23-9-4-3-5-10-23)14-12-28(13-15-29)21-34(27(37)35(28)19-22-7-6-8-22)20-25(36)17-24-11-16-31-26(18-30)32-24;1-31(2)29(23-10-4-3-5-11-23)16-14-28(15-17-29)21-32(27(36)33(28)19-22-8-6-9-22)20-25(34)18-24-12-7-13-26(35)30-24;1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20;1-27-23(32)12-11-22(31)18-29-19-25(30(24(29)33)17-20-7-6-8-20)13-15-26(28-2,16-14-25)21-9-4-3-5-10-21;1-27(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-28(19-23(31)12-7-17-30)24(32)29(25)18-21-8-6-9-21/h4-6,10-11,14,19,23H,7-9,12-13,15-18,20-22H2,1-3H3;4-6,10-11,18-19,23H,7-9,12-17,20-22H2,1-3H3;4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;3-5,9-11,16,22H,6-8,12-15,17,19-21H2,1-2H3;3-5,7,10-13,22H,6,8-9,14-21H2,1-2H3,(H,30,35);4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32);3-5,9-10,20,28H,6-8,11-19H2,1-2H3,(H,27,32);3-5,10-11,21,30H,6-9,12-20H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide has a molecular weight of 3933.28 g/mol, XLogP of 29.40, 71 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(2-methoxypyrimidin-5-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(4-methoxypyrimidin-2-yl)-2-oxobutyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfinyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-2-carbonitrile;2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-4-oxopentanamide is sourced from PubChem (CID 161022283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).