8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)

C109H133F9N24O8S2 — CID 161459703

About 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)

8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) (PubChem CID 161459703) has the molecular formula C109H133F9N24O8S2 and a molecular weight of 2142.54 g/mol. Its IUPAC name is 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one).

Molecular Properties

• Compound Name: 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
• PubChem CID: 161459703
• Molecular Formula: C109H133F9N24O8S2
• Molecular Weight: 2142.54 g/mol
• Exact Mass: 2141.00
• IUPAC Name: 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
• SMILES: CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1OCC(=O)O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCCC3)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
• InChI: InChI=1S/C25H34N6O.C24H29N3O4.C22H26F3N5O.2C19H22F3N5OS/c1-29(2)25(20-9-5-3-6-10-20)13-11-24(12-14-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-15-7-4-8-16-30;1-26(2)24(18-8-4-3-5-9-18)14-12-23(13-15-24)17-27(22(30)25-23)19-10-6-7-11-20(19)31-16-21(28)29;1-29(2)21(12-16-6-4-3-5-7-16)10-8-20(9-11-21)15-30(19(31)28-20)17-13-26-18(27-14-17)22(23,24)25;2*1-26(2)18(14-4-3-9-29-14)7-5-17(6-8-18)12-27(16(28)25-17)13-10-23-15(24-11-13)19(20,21)22/h3,5-6,9-10,17-18H,4,7-8,11-16,19H2,1-2H3,(H,28,32);3-11H,12-17H2,1-2H3,(H,25,30)(H,28,29);3-7,13-14H,8-12,15H2,1-2H3,(H,28,31);2*3-4,9-11H,5-8,12H2,1-2H3,(H,25,28)
• InChIKey: WBQBEXLXLXBYOK-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 330.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.54
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?

The IUPAC name of 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) (CID 161459703) is 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one).

What is the SMILES notation for 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?

The canonical SMILES for 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) is CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1OCC(=O)O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCCC3)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.

What is the InChIKey of 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?

The InChIKey is WBQBEXLXLXBYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O.C24H29N3O4.C22H26F3N5O.2C19H22F3N5OS/c1-29(2)25(20-9-5-3-6-10-20)13-11-24(12-14-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-15-7-4-8-16-30;1-26(2)24(18-8-4-3-5-9-18)14-12-23(13-15-24)17-27(22(30)25-23)19-10-6-7-11-20(19)31-16-21(28)29;1-29(2)21(12-16-6-4-3-5-7-16)10-8-20(9-11-21)15-30(19(31)28-20)17-13-26-18(27-14-17)22(23,24)25;2*1-26(2)18(14-4-3-9-29-14)7-5-17(6-8-18)12-27(16(28)25-17)13-10-23-15(24-11-13)19(20,21)22/h3,5-6,9-10,17-18H,4,7-8,11-16,19H2,1-2H3,(H,28,32);3-11H,12-17H2,1-2H3,(H,25,30)(H,28,29);3-7,13-14H,8-12,15H2,1-2H3,(H,28,31);2*3-4,9-11H,5-8,12H2,1-2H3,(H,25,28).

What are the key properties of 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?

8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) has a molecular weight of 2142.54 g/mol, XLogP of 18.81, 20 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) is sourced from PubChem (CID 161459703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).