8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C95H109F3N18O5 — CID 159531763

About 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159531763) has the molecular formula C95H109F3N18O5 and a molecular weight of 1640.03 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 159531763
• Molecular Formula: C95H109F3N18O5
• Molecular Weight: 1640.03 g/mol
• Exact Mass: 1638.88
• IUPAC Name: 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCc3ccccc3)nc1)C(=O)N2.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
• InChI: InChI=1S/C28H33N5O.C23H24F2N4O.C23H25FN4O.C21H27N5O2/c1-32(2)28(23-11-7-4-8-12-23)17-15-27(16-18-28)21-33(26(34)31-27)24-19-29-25(30-20-24)14-13-22-9-5-3-6-10-22;1-28(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)15-29(21(30)27-22)20-18(24)12-16(14-26)13-19(20)25;1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)20-9-8-17(15-25)14-19(20)24;1-25(2)21(16-7-5-4-6-8-16)11-9-20(10-12-21)15-26(19(27)24-20)17-13-22-18(28-3)23-14-17/h3-12,19-20H,13-18,21H2,1-2H3,(H,31,34);3-7,12-13H,8-11,15H2,1-2H3,(H,27,30);3-9,14H,10-13,16H2,1-2H3,(H,26,29);4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
• InChIKey: MDBWRMHETPAYQP-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 250.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1640.03
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 159531763) is 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCc3ccccc3)nc1)C(=O)N2.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.

What is the InChIKey of 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is MDBWRMHETPAYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O.C23H24F2N4O.C23H25FN4O.C21H27N5O2/c1-32(2)28(23-11-7-4-8-12-23)17-15-27(16-18-28)21-33(26(34)31-27)24-19-29-25(30-20-24)14-13-22-9-5-3-6-10-22;1-28(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)15-29(21(30)27-22)20-18(24)12-16(14-26)13-19(20)25;1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)20-9-8-17(15-25)14-19(20)24;1-25(2)21(16-7-5-4-6-8-16)11-9-20(10-12-21)15-26(19(27)24-20)17-13-22-18(28-3)23-14-17/h3-12,19-20H,13-18,21H2,1-2H3,(H,31,34);3-7,12-13H,8-11,15H2,1-2H3,(H,27,30);3-9,14H,10-13,16H2,1-2H3,(H,26,29);4-8,13-14H,9-12,15H2,1-3H3,(H,24,27).

What are the key properties of 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?

8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1640.03 g/mol, XLogP of 15.48, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159531763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).