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;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-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
C155H219N25O18S2 — CID 157387931
Data last refreshed: (MolForge compound catalog, from PubChem)
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;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-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
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;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-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 (PubChem CID 157387931) has the molecular formula C155H219N25O18S2 and a molecular weight of 2784.75 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;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-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.
Molecular Properties
| Compound Name | 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;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-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 |
|---|---|
| PubChem CID | 157387931 |
| Molecular Formula | C155H219N25O18S2 |
| Molecular Weight | 2784.75 g/mol |
| Exact Mass | 2782.64 |
| IUPAC Name | 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;2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-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 |
| SMILES | 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(=O)Nc1ccccn1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)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 |
| InChI | InChI=1S/C30H40N4O2S.C28H37N5O2.C27H40N4O4.C27H40N4O3.C22H32N4O3.C21H30N4O4S/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;1-31(2)28(23-11-4-3-5-12-23)16-14-27(15-17-28)21-32(26(35)33(27)19-22-9-8-10-22)20-25(34)30-24-13-6-7-18-29-24;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;1-24-22(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/h4-6,10-12,17,19,23H,7-9,13-16,18,20-22H2,1-3H3;3-7,11-13,18,22H,8-10,14-17,19-21H2,1-2H3,(H,29,30,34);3-5,7-8,34H,6,9-21H2,1-2H3;3-5,9-10,22H,6-8,11-21H2,1-2H3;2-4,6-7,24,29H,5,8-16H2,1H3,(H2,23,27);2-6,22H,7-16H2,1H3,(H,23,27) |
| InChIKey | BLQNNTQLFRWPGN-UHFFFAOYSA-N |
| XLogP | 17.22 |
| TPSA | 456.14 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 200 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2784.75 |
| LogP ≤ 5 | 17.22 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 27 |
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Sources
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