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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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)

C135H166F6N32O9S2 — CID 158769991

About 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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)

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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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 158769991) has the molecular formula C135H166F6N32O9S2 and a molecular weight of 2559.15 g/mol. Its IUPAC name is 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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: 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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: 158769991
• Molecular Formula: C135H166F6N32O9S2
• Molecular Weight: 2559.15 g/mol
• Exact Mass: 2557.29
• IUPAC Name: 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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(c2ccccc2)CCC2(CC1)CN(c1ccccc1OCC(=O)O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cncnc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCC3)nc1)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.C24H27N7O.C24H32N6O.C24H29N3O4.2C19H22F3N5OS/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;1-30(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)16-31(22(32)29-23)20-14-27-21(28-15-20)18-12-25-17-26-13-18;1-28(2)24(19-8-4-3-5-9-19)12-10-23(11-13-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-14-6-7-15-29;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;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);3-7,12-15,17H,8-11,16H2,1-2H3,(H,29,32);3-5,8-9,16-17H,6-7,10-15,18H2,1-2H3,(H,27,31);3-11H,12-17H2,1-2H3,(H,25,30)(H,28,29);2*3-4,9-11H,5-8,12H2,1-2H3,(H,25,28)
• InChIKey: IPSZOPVZRSCHCZ-UHFFFAOYSA-N
• XLogP: 21.54
• TPSA: 421.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2559.15
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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 158769991) is 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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(c2ccccc2)CCC2(CC1)CN(c1ccccc1OCC(=O)O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cncnc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCC3)nc1)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 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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 IPSZOPVZRSCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O.C24H27N7O.C24H32N6O.C24H29N3O4.2C19H22F3N5OS/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;1-30(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)16-31(22(32)29-23)20-14-27-21(28-15-20)18-12-25-17-26-13-18;1-28(2)24(19-8-4-3-5-9-19)12-10-23(11-13-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-14-6-7-15-29;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;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);3-7,12-15,17H,8-11,16H2,1-2H3,(H,29,32);3-5,8-9,16-17H,6-7,10-15,18H2,1-2H3,(H,27,31);3-11H,12-17H2,1-2H3,(H,25,30)(H,28,29);2*3-4,9-11H,5-8,12H2,1-2H3,(H,25,28).

What are the key properties of 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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)?

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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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 2559.15 g/mol, XLogP of 21.54, 24 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-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 158769991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).