3-[(1-acetylpiperidin-4-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-hydroxy-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one
C160H239N23O12 — CID 158966700
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-[(1-acetylpiperidin-4-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-hydroxy-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one
3-[(1-acetylpiperidin-4-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-hydroxy-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 158966700) has the molecular formula C160H239N23O12 and a molecular weight of 2676.82 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-hydroxy-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one.
Molecular Properties
| Compound Name | 3-[(1-acetylpiperidin-4-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-hydroxy-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one |
|---|---|
| PubChem CID | 158966700 |
| Molecular Formula | C160H239N23O12 |
| Molecular Weight | 2676.82 g/mol |
| Exact Mass | 2674.88 |
| IUPAC Name | 3-[(1-acetylpiperidin-4-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxyoxan-4-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-hydroxy-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one |
| SMILES | CC(=O)N1CCC(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CC3)C2=O)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(c3cncnc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCNCC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)O)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCOCC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)CCOCC1)C(=O)N2CC1CCC1 |
| InChI | InChI=1S/C29H40N6O.C28H42N4O2.C28H43N3O3.C26H39N3O3.C25H38N4O.C24H37N3O2/c1-32(2)29(24-6-4-3-5-7-24)14-12-28(13-15-29)21-34(27(36)35(28)20-23-8-9-23)25-10-16-33(17-11-25)26-18-30-22-31-19-26;1-22(33)30-17-11-24(12-18-30)19-31-21-27(32(26(31)34)20-23-9-10-23)13-15-28(16-14-27,29(2)3)25-7-5-4-6-8-25;1-29(2)28(24-9-4-3-5-10-24)13-11-26(12-14-28)22-30(18-15-27(33)16-19-34-20-17-27)25(32)31(26)21-23-7-6-8-23;1-27(2)26(22-6-4-3-5-7-22)12-10-24(11-13-26)19-28(20-25(31)14-16-32-17-15-25)23(30)29(24)18-21-8-9-21;1-27(2)25(21-6-4-3-5-7-21)14-12-24(13-15-25)19-28(22-10-16-26-17-11-22)23(30)29(24)18-20-8-9-20;1-22(2,29)17-26-18-23(27(21(26)28)16-19-10-11-19)12-14-24(15-13-23,25(3)4)20-8-6-5-7-9-20/h3-7,18-19,22-23,25H,8-17,20-21H2,1-2H3;4-8,23-24H,9-21H2,1-3H3;3-5,9-10,23,33H,6-8,11-22H2,1-2H3;3-7,21,31H,8-20H2,1-2H3;3-7,20,22,26H,8-19H2,1-2H3;5-9,19,29H,10-18H2,1-4H3 |
| InChIKey | JNHIMSHSKOOPEZ-UHFFFAOYSA-N |
| XLogP | 23.53 |
| TPSA | 301.25 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 195 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2676.82 |
| LogP ≤ 5 | 23.53 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 22 |
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Sources
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