4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

C105H134N20O7 — CID 158108442

About 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (PubChem CID 158108442) has the molecular formula C105H134N20O7 and a molecular weight of 1788.36 g/mol. Its IUPAC name is 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• PubChem CID: 158108442
• Molecular Formula: C105H134N20O7
• Molecular Weight: 1788.36 g/mol
• Exact Mass: 1787.07
• IUPAC Name: 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• SMILES: CN(C)C(=O)c1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CCO.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)cc1C)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(OC)cn1)C(=O)N2CC1CCC1
• InChI: InChI=1S/C30H40N4O2.C27H33N5O.C25H33N5O2.C23H28N6O2/c1-31(2)27(35)24-13-15-26(16-14-24)33-22-29(34(28(33)36)21-23-9-8-10-23)17-19-30(20-18-29,32(3)4)25-11-6-5-7-12-25;1-20-15-23(16-28)30-17-24(20)31-19-26(32(25(31)33)18-21-7-6-8-21)11-13-27(29-2,14-12-26)22-9-4-3-5-10-22;1-26-25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-29(21-15-28-22(32-2)16-27-21)23(31)30(24)17-19-7-6-8-19;1-27(2)23(18-6-4-3-5-7-18)10-8-22(9-11-23)17-28(21(31)29(22)12-13-30)19-15-25-20(14-24)26-16-19/h5-7,11-16,23H,8-10,17-22H2,1-4H3;3-5,9-10,15,17,21,29H,6-8,11-14,18-19H2,1-2H3;3-5,9-10,15-16,19,26H,6-8,11-14,17-18H2,1-2H3;3-7,15-16,30H,8-13,17H2,1-2H3
• InChIKey: FQCWHMYUYXECOW-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 286.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.36
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The IUPAC name of 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (CID 158108442) is 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

What is the SMILES notation for 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The canonical SMILES for 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is CN(C)C(=O)c1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CCO.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)cc1C)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(OC)cn1)C(=O)N2CC1CCC1.

What is the InChIKey of 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The InChIKey is FQCWHMYUYXECOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2.C27H33N5O.C25H33N5O2.C23H28N6O2/c1-31(2)27(35)24-13-15-26(16-14-24)33-22-29(34(28(33)36)21-23-9-8-10-23)17-19-30(20-18-29,32(3)4)25-11-6-5-7-12-25;1-20-15-23(16-28)30-17-24(20)31-19-26(32(25(31)33)18-21-7-6-8-21)11-13-27(29-2,14-12-26)22-9-4-3-5-10-22;1-26-25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-29(21-15-28-22(32-2)16-27-21)23(31)30(24)17-19-7-6-8-19;1-27(2)23(18-6-4-3-5-7-18)10-8-22(9-11-23)17-28(21(31)29(22)12-13-30)19-15-25-20(14-24)26-16-19/h5-7,11-16,23H,8-10,17-22H2,1-4H3;3-5,9-10,15,17,21,29H,6-8,11-14,18-19H2,1-2H3;3-5,9-10,15-16,19,26H,6-8,11-14,17-18H2,1-2H3;3-7,15-16,30H,8-13,17H2,1-2H3.

What are the key properties of 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 1788.36 g/mol, XLogP of 16.24, 22 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;1-(cyclobutylmethyl)-3-(5-methoxypyrazin-2-yl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 158108442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).