1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C93H108F7N17O5 — CID 159911101

IUPAC1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1COC1
InChIInChI=1S/C24H28F3N5O2.C24H28F3N5O.C23H26N4O.C22H26FN3O/c1-28-23(18-5-3-2-4-6-18)9-7-22(8-10-23)16-31(21(33)32(22)13-17-14-34-15-17)19-11-29-20(30-12-19)24(25,26)27;1-28-23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-31(21(33)32(22)15-17-7-8-17)19-13-29-20(30-14-19)24(25,26)27;1-26(2)23(19-6-4-3-5-7-19)14-12-22(13-15-23)17-27(21(28)25-22)20-10-8-18(16-24)9-11-20;1-25(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-26(20(27)24-21)19-10-8-18(23)9-11-19/h2-6,11-12,17,28H,7-10,13-16H2,1H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;3-11H,12-15,17H2,1-2H3,(H,25,28);3-11H,12-16H2,1-2H3,(H,24,27)
InChIKeyNXEQWFLUCBZICN-UHFFFAOYSA-N
MW1676.99 g/mol
LogP16.37
Rot. Bonds16

About 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159911101) has the molecular formula C93H108F7N17O5 and a molecular weight of 1676.99 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID159911101
Molecular FormulaC93H108F7N17O5
Molecular Weight1676.99 g/mol
Exact Mass1675.86
IUPAC Name1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1COC1
InChIInChI=1S/C24H28F3N5O2.C24H28F3N5O.C23H26N4O.C22H26FN3O/c1-28-23(18-5-3-2-4-6-18)9-7-22(8-10-23)16-31(21(33)32(22)13-17-14-34-15-17)19-11-29-20(30-12-19)24(25,26)27;1-28-23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-31(21(33)32(22)15-17-7-8-17)19-13-29-20(30-14-19)24(25,26)27;1-26(2)23(19-6-4-3-5-7-19)14-12-22(13-15-23)17-27(21(28)25-22)20-10-8-18(16-24)9-11-20;1-25(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-26(20(27)24-21)19-10-8-18(23)9-11-19/h2-6,11-12,17,28H,7-10,13-16H2,1H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;3-11H,12-15,17H2,1-2H3,(H,25,28);3-11H,12-16H2,1-2H3,(H,24,27)
InChIKeyNXEQWFLUCBZICN-UHFFFAOYSA-N
XLogP16.37
TPSA226.90 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.99
LogP ≤ 516.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 159911101) is 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1COC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is NXEQWFLUCBZICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2.C24H28F3N5O.C23H26N4O.C22H26FN3O/c1-28-23(18-5-3-2-4-6-18)9-7-22(8-10-23)16-31(21(33)32(22)13-17-14-34-15-17)19-11-29-20(30-12-19)24(25,26)27;1-28-23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-31(21(33)32(22)15-17-7-8-17)19-13-29-20(30-14-19)24(25,26)27;1-26(2)23(19-6-4-3-5-7-19)14-12-22(13-15-23)17-27(21(28)25-22)20-10-8-18(16-24)9-11-20;1-25(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-26(20(27)24-21)19-10-8-18(23)9-11-19/h2-6,11-12,17,28H,7-10,13-16H2,1H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;3-11H,12-15,17H2,1-2H3,(H,25,28);3-11H,12-16H2,1-2H3,(H,24,27).
What are the key properties of 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1676.99 g/mol, XLogP of 16.37, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159911101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).