1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C230H331N39O30S4 — CID 158417322

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(O)CCC1.CSc1ccnc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)c1
InChIInChI=1S/C30H40N4O2S.C27H40N4O4.C27H40N4O3.C24H35N3O2.2C22H32N4O4S.C22H32N4O3.C21H30N4O4S.C18H26N4O2.C17H24N4O2/c1-32(2)30(24-10-5-4-6-11-24)15-13-29(14-16-30)22-33(28(36)34(29)20-23-8-7-9-23)21-26(35)18-25-19-27(37-3)12-17-31-25;1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)20-30(19-23(32)29-15-17-35-18-16-29)24(33)31(25)21-26(34)9-6-10-26;1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(20-24(32)29-15-17-34-18-16-29)25(33)31(26)19-22-7-6-8-22;1-3-21(28)17-26-18-23(27(22(26)29)16-19-8-7-9-19)12-14-24(25-2,15-13-23)20-10-5-4-6-11-20;2*1-2-23-22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)24-21)16-19(27)25-12-14-31(29,30)15-13-25;1-24-22(17-6-3-2-4-7-17)12-10-20(11-13-22)15-25(14-18(23)27)19(28)26(20)16-21(29)8-5-9-21;1-22-21(17-5-3-2-4-6-17)9-7-20(8-10-21)16-25(19(27)23-20)15-18(26)24-11-13-30(28,29)14-12-24;1-21(2)18(14-6-4-3-5-7-14)10-8-17(9-11-18)13-22(12-15(19)23)16(24)20-17;1-19-17(13-5-3-2-4-6-13)9-7-16(8-10-17)12-21(11-14(18)22)15(23)20-16/h4-6,10-12,17,19,23H,7-9,13-16,18,20-22H2,1-3H3;3-5,7-8,34H,6,9-21H2,1-2H3;3-5,9-10,22H,6-8,11-21H2,1-2H3;4-6,10-11,19,25H,3,7-9,12-18H2,1-2H3;2*3-7,23H,2,8-17H2,1H3,(H,24,28);2-4,6-7,24,29H,5,8-16H2,1H3,(H2,23,27);2-6,22H,7-16H2,1H3,(H,23,27);3-7H,8-13H2,1-2H3,(H2,19,23)(H,20,24);2-6,19H,7-12H2,1H3,(H2,18,22)(H,20,23)
InChIKeyHABDTLPMYWGCOV-UHFFFAOYSA-N
MW4250.69 g/mol
LogP21.19
Rot. Bonds56

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 158417322) has the molecular formula C230H331N39O30S4 and a molecular weight of 4250.69 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID158417322
Molecular FormulaC230H331N39O30S4
Molecular Weight4250.69 g/mol
Exact Mass4247.45
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(O)CCC1.CSc1ccnc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)c1
InChIInChI=1S/C30H40N4O2S.C27H40N4O4.C27H40N4O3.C24H35N3O2.2C22H32N4O4S.C22H32N4O3.C21H30N4O4S.C18H26N4O2.C17H24N4O2/c1-32(2)30(24-10-5-4-6-11-24)15-13-29(14-16-30)22-33(28(36)34(29)20-23-8-7-9-23)21-26(35)18-25-19-27(37-3)12-17-31-25;1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)20-30(19-23(32)29-15-17-35-18-16-29)24(33)31(25)21-26(34)9-6-10-26;1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(20-24(32)29-15-17-34-18-16-29)25(33)31(26)19-22-7-6-8-22;1-3-21(28)17-26-18-23(27(22(26)29)16-19-8-7-9-19)12-14-24(25-2,15-13-23)20-10-5-4-6-11-20;2*1-2-23-22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)24-21)16-19(27)25-12-14-31(29,30)15-13-25;1-24-22(17-6-3-2-4-7-17)12-10-20(11-13-22)15-25(14-18(23)27)19(28)26(20)16-21(29)8-5-9-21;1-22-21(17-5-3-2-4-6-17)9-7-20(8-10-21)16-25(19(27)23-20)15-18(26)24-11-13-30(28,29)14-12-24;1-21(2)18(14-6-4-3-5-7-14)10-8-17(9-11-18)13-22(12-15(19)23)16(24)20-17;1-19-17(13-5-3-2-4-6-13)9-7-16(8-10-17)12-21(11-14(18)22)15(23)20-16/h4-6,10-12,17,19,23H,7-9,13-16,18,20-22H2,1-3H3;3-5,7-8,34H,6,9-21H2,1-2H3;3-5,9-10,22H,6-8,11-21H2,1-2H3;4-6,10-11,19,25H,3,7-9,12-18H2,1-2H3;2*3-7,23H,2,8-17H2,1H3,(H,24,28);2-4,6-7,24,29H,5,8-16H2,1H3,(H2,23,27);2-6,22H,7-16H2,1H3,(H,23,27);3-7H,8-13H2,1-2H3,(H2,19,23)(H,20,24);2-6,19H,7-12H2,1H3,(H2,18,22)(H,20,23)
InChIKeyHABDTLPMYWGCOV-UHFFFAOYSA-N
XLogP21.19
TPSA803.78 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds56
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004250.69
LogP ≤ 521.19
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide 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 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 158417322) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2CCC2)C1=O.CCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(O)CCC1.CSc1ccnc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)c1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is HABDTLPMYWGCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2S.C27H40N4O4.C27H40N4O3.C24H35N3O2.2C22H32N4O4S.C22H32N4O3.C21H30N4O4S.C18H26N4O2.C17H24N4O2/c1-32(2)30(24-10-5-4-6-11-24)15-13-29(14-16-30)22-33(28(36)34(29)20-23-8-7-9-23)21-26(35)18-25-19-27(37-3)12-17-31-25;1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)20-30(19-23(32)29-15-17-35-18-16-29)24(33)31(25)21-26(34)9-6-10-26;1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(20-24(32)29-15-17-34-18-16-29)25(33)31(26)19-22-7-6-8-22;1-3-21(28)17-26-18-23(27(22(26)29)16-19-8-7-9-19)12-14-24(25-2,15-13-23)20-10-5-4-6-11-20;2*1-2-23-22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)24-21)16-19(27)25-12-14-31(29,30)15-13-25;1-24-22(17-6-3-2-4-7-17)12-10-20(11-13-22)15-25(14-18(23)27)19(28)26(20)16-21(29)8-5-9-21;1-22-21(17-5-3-2-4-6-17)9-7-20(8-10-21)16-25(19(27)23-20)15-18(26)24-11-13-30(28,29)14-12-24;1-21(2)18(14-6-4-3-5-7-14)10-8-17(9-11-18)13-22(12-15(19)23)16(24)20-17;1-19-17(13-5-3-2-4-6-13)9-7-16(8-10-17)12-21(11-14(18)22)15(23)20-16/h4-6,10-12,17,19,23H,7-9,13-16,18,20-22H2,1-3H3;3-5,7-8,34H,6,9-21H2,1-2H3;3-5,9-10,22H,6-8,11-21H2,1-2H3;4-6,10-11,19,25H,3,7-9,12-18H2,1-2H3;2*3-7,23H,2,8-17H2,1H3,(H,24,28);2-4,6-7,24,29H,5,8-16H2,1H3,(H2,23,27);2-6,22H,7-16H2,1H3,(H,23,27);3-7H,8-13H2,1-2H3,(H2,19,23)(H,20,24);2-6,19H,7-12H2,1H3,(H2,18,22)(H,20,23).
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 4250.69 g/mol, XLogP of 21.19, 56 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 158417322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).