2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
C208H294N34O25S2 — CID 158031892
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2(O)CCC2)C1=O.CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(NC)(c1ccccc1)CC2.CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1(C#N)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccccn1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(C#N)CCC1.CN(C)[C@]1(c2ccccc2)CC[C@@]2(CN(CC(=O)Cc3ccccn3)C(=O)N2)CN1CC1CCC1
InChIInChI=1S/C29H38N4O3.C28H37N5O2.C27H37N5O3.C27H40N4O4.C25H38N4O4S.C24H33N5O2.C24H36N4O4S.C24H35N3O3/c1-31(2)29(23-9-4-3-5-10-23)16-14-27(15-17-29)21-32(20-25(34)19-24-11-6-7-18-30-24)26(35)33(27)22-28(36)12-8-13-28;1-31(2)28(23-11-4-3-5-12-23)15-14-27(21-33(28)18-22-9-8-10-22)20-32(26(35)30-27)19-25(34)17-24-13-6-7-16-29-24;1-30(2)27(21-7-4-3-5-8-21)15-13-26(14-16-27)20-31(17-22(33)9-10-23(29)34)24(35)32(26)19-25(18-28)11-6-12-25;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;1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21;1-27(2)24(19-7-4-3-5-8-19)13-11-23(12-14-24)18-28(15-20(26)30)21(31)29(23)17-22(16-25)9-6-10-22;1-3-13-28-22(30)27(18-21(29)26-14-16-33(31,32)17-15-26)19-23(28)9-11-24(25-2,12-10-23)20-7-5-4-6-8-20;1-3-20(28)16-26-17-22(27(21(26)29)18-23(30)10-7-11-23)12-14-24(25-2,15-13-22)19-8-5-4-6-9-19/h3-7,9-11,18,36H,8,12-17,19-22H2,1-2H3;3-7,11-13,16,22H,8-10,14-15,17-21H2,1-2H3,(H,30,35);3-5,7-8H,6,9-17,19-20H2,1-2H3,(H2,29,34);3-5,7-8,34H,6,9-21H2,1-2H3;5-9H,4,10-20H2,1-3H3;3-5,7-8H,6,9-15,17-18H2,1-2H3,(H2,26,30);4-8,25H,3,9-19H2,1-2H3;4-6,8-9,25,30H,3,7,10-18H2,1-2H3/t;27-,28-;;;;;;/m.1....../s1
InChIKeyFHGWWXSVKHQQLN-BNSCFPFISA-N
MW3734.99 g/mol
LogP21.87
Rot. Bonds56
About 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 158031892) has the molecular formula C208H294N34O25S2 and a molecular weight of 3734.99 g/mol. Its IUPAC name is 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
Molecular Properties
| Compound Name | 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one |
|---|---|
| PubChem CID | 158031892 |
| Molecular Formula | C208H294N34O25S2 |
| Molecular Weight | 3734.99 g/mol |
| Exact Mass | 3732.22 |
| IUPAC Name | 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one |
| SMILES | CCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2(O)CCC2)C1=O.CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(NC)(c1ccccc1)CC2.CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1(C#N)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccccn1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(C#N)CCC1.CN(C)[C@]1(c2ccccc2)CC[C@@]2(CN(CC(=O)Cc3ccccn3)C(=O)N2)CN1CC1CCC1 |
| InChI | InChI=1S/C29H38N4O3.C28H37N5O2.C27H37N5O3.C27H40N4O4.C25H38N4O4S.C24H33N5O2.C24H36N4O4S.C24H35N3O3/c1-31(2)29(23-9-4-3-5-10-23)16-14-27(15-17-29)21-32(20-25(34)19-24-11-6-7-18-30-24)26(35)33(27)22-28(36)12-8-13-28;1-31(2)28(23-11-4-3-5-12-23)15-14-27(21-33(28)18-22-9-8-10-22)20-32(26(35)30-27)19-25(34)17-24-13-6-7-16-29-24;1-30(2)27(21-7-4-3-5-8-21)15-13-26(14-16-27)20-31(17-22(33)9-10-23(29)34)24(35)32(26)19-25(18-28)11-6-12-25;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;1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21;1-27(2)24(19-7-4-3-5-8-19)13-11-23(12-14-24)18-28(15-20(26)30)21(31)29(23)17-22(16-25)9-6-10-22;1-3-13-28-22(30)27(18-21(29)26-14-16-33(31,32)17-15-26)19-23(28)9-11-24(25-2,12-10-23)20-7-5-4-6-8-20;1-3-20(28)16-26-17-22(27(21(26)29)18-23(30)10-7-11-23)12-14-24(25-2,15-13-22)19-8-5-4-6-9-19/h3-7,9-11,18,36H,8,12-17,19-22H2,1-2H3;3-7,11-13,16,22H,8-10,14-15,17-21H2,1-2H3,(H,30,35);3-5,7-8H,6,9-17,19-20H2,1-2H3,(H2,29,34);3-5,7-8,34H,6,9-21H2,1-2H3;5-9H,4,10-20H2,1-3H3;3-5,7-8H,6,9-15,17-18H2,1-2H3,(H2,26,30);4-8,25H,3,9-19H2,1-2H3;4-6,8-9,25,30H,3,7,10-18H2,1-2H3/t;27-,28-;;;;;;/m.1....../s1 |
| InChIKey | FHGWWXSVKHQQLN-BNSCFPFISA-N |
| XLogP | 21.87 |
| TPSA | 670.88 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 269 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3734.99 |
| LogP ≤ 5 | 21.87 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 38 |
Frequently Asked Questions
What is the IUPAC name of 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 158031892) is 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCC(=O)CN1CC2(CCC(NC)(c3ccccc3)CC2)N(CC2(O)CCC2)C1=O.CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(NC)(c1ccccc1)CC2.CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1(C#N)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ccccn1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(C#N)CCC1.CN(C)[C@]1(c2ccccc2)CC[C@@]2(CN(CC(=O)Cc3ccccn3)C(=O)N2)CN1CC1CCC1.
What is the InChIKey of 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FHGWWXSVKHQQLN-BNSCFPFISA-N. The full InChI is InChI=1S/C29H38N4O3.C28H37N5O2.C27H37N5O3.C27H40N4O4.C25H38N4O4S.C24H33N5O2.C24H36N4O4S.C24H35N3O3/c1-31(2)29(23-9-4-3-5-10-23)16-14-27(15-17-29)21-32(20-25(34)19-24-11-6-7-18-30-24)26(35)33(27)22-28(36)12-8-13-28;1-31(2)28(23-11-4-3-5-12-23)15-14-27(21-33(28)18-22-9-8-10-22)20-32(26(35)30-27)19-25(34)17-24-13-6-7-16-29-24;1-30(2)27(21-7-4-3-5-8-21)15-13-26(14-16-27)20-31(17-22(33)9-10-23(29)34)24(35)32(26)19-25(18-28)11-6-12-25;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;1-4-14-29-23(31)28(19-22(30)27-15-17-34(32,33)18-16-27)20-24(29)10-12-25(13-11-24,26(2)3)21-8-6-5-7-9-21;1-27(2)24(19-7-4-3-5-8-19)13-11-23(12-14-24)18-28(15-20(26)30)21(31)29(23)17-22(16-25)9-6-10-22;1-3-13-28-22(30)27(18-21(29)26-14-16-33(31,32)17-15-26)19-23(28)9-11-24(25-2,12-10-23)20-7-5-4-6-8-20;1-3-20(28)16-26-17-22(27(21(26)29)18-23(30)10-7-11-23)12-14-24(25-2,15-13-22)19-8-5-4-6-9-19/h3-7,9-11,18,36H,8,12-17,19-22H2,1-2H3;3-7,11-13,16,22H,8-10,14-15,17-21H2,1-2H3,(H,30,35);3-5,7-8H,6,9-17,19-20H2,1-2H3,(H2,29,34);3-5,7-8,34H,6,9-21H2,1-2H3;5-9H,4,10-20H2,1-3H3;3-5,7-8H,6,9-15,17-18H2,1-2H3,(H2,26,30);4-8,25H,3,9-19H2,1-2H3;4-6,8-9,25,30H,3,7,10-18H2,1-2H3/t;27-,28-;;;;;;/m.1....../s1.
What are the key properties of 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 3734.99 g/mol, XLogP of 21.87, 56 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;(5S,8R)-9-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-oxo-3-pyridin-2-ylpropyl)-8-phenyl-1,3,9-triazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-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;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-3-pyridin-2-ylpropyl)-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-propyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158031892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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