8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile

C96H120FN19O10S — CID 162020136

IUPAC8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C#N)C(=O)N2.CN(CCO)C(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C26H32N6O2.C24H32N6O3.C23H28FN3O3S.C23H28N4O2/c1-30(2)26(21-6-4-3-5-7-21)10-8-25(9-11-26)19-32(24(33)29-25)22-18-28-23(16-20(22)17-27)31-12-14-34-15-13-31;1-28(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-30(22(33)27-23)19-15-25-20(26-16-19)21(32)29(3)13-14-31;1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30;1-26(2)23(18-6-4-3-5-7-18)14-12-22(13-15-23)16-27(21(29)25-22)19-10-8-17(9-11-19)20(24)28/h3-7,16,18H,8-15,19H2,1-2H3,(H,29,33);4-8,15-16,31H,9-14,17H2,1-3H3,(H,27,33);4-10,15H,11-14,16H2,1-3H3,(H,25,28);3-11H,12-16H2,1-2H3,(H2,24,28)(H,25,29)
InChIKeyYUQLXEICRRPBCT-UHFFFAOYSA-N
MW1751.20 g/mol
LogP11.54
Rot. Bonds18

About 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile

8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile (PubChem CID 162020136) has the molecular formula C96H120FN19O10S and a molecular weight of 1751.20 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile
PubChem CID162020136
Molecular FormulaC96H120FN19O10S
Molecular Weight1751.20 g/mol
Exact Mass1749.92
IUPAC Name8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C#N)C(=O)N2.CN(CCO)C(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C26H32N6O2.C24H32N6O3.C23H28FN3O3S.C23H28N4O2/c1-30(2)26(21-6-4-3-5-7-21)10-8-25(9-11-26)19-32(24(33)29-25)22-18-28-23(16-20(22)17-27)31-12-14-34-15-13-31;1-28(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-30(22(33)27-23)19-15-25-20(26-16-19)21(32)29(3)13-14-31;1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30;1-26(2)23(18-6-4-3-5-7-18)14-12-22(13-15-23)16-27(21(29)25-22)19-10-8-17(9-11-19)20(24)28/h3-7,16,18H,8-15,19H2,1-2H3,(H,29,33);4-8,15-16,31H,9-14,17H2,1-3H3,(H,27,33);4-10,15H,11-14,16H2,1-3H3,(H,25,28);3-11H,12-16H2,1-2H3,(H2,24,28)(H,25,29)
InChIKeyYUQLXEICRRPBCT-UHFFFAOYSA-N
XLogP11.54
TPSA335.02 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001751.20
LogP ≤ 511.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile with MolForge

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Related Compounds

CID 161041961
CID 161041961
CID 161966871
CID 161966871
CID 160522854
CID 160522854
8-(Dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;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;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile
CID 160730969
1-(Cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;8-(dimethylamino)-1-[2-(1-methoxycyclobutyl)ethyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[2-(1-methoxycyclobutyl)ethyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 161241109
8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-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]benzamide;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;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 161842240
CID 161884615
CID 161884615
4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethylbenzamide;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide;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;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylsulfonylbenzonitrile;5-[8-(dimethylamino)-1-(2-hydroxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 161968348

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile?
The IUPAC name of 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile (CID 162020136) is 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile.
What is the SMILES notation for 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile?
The canonical SMILES for 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C#N)C(=O)N2.CN(CCO)C(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.
What is the InChIKey of 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile?
The InChIKey is YUQLXEICRRPBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C24H32N6O3.C23H28FN3O3S.C23H28N4O2/c1-30(2)26(21-6-4-3-5-7-21)10-8-25(9-11-26)19-32(24(33)29-25)22-18-28-23(16-20(22)17-27)31-12-14-34-15-13-31;1-28(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-30(22(33)27-23)19-15-25-20(26-16-19)21(32)29(3)13-14-31;1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30;1-26(2)23(18-6-4-3-5-7-18)14-12-22(13-15-23)16-27(21(29)25-22)19-10-8-17(9-11-19)20(24)28/h3-7,16,18H,8-15,19H2,1-2H3,(H,29,33);4-8,15-16,31H,9-14,17H2,1-3H3,(H,27,33);4-10,15H,11-14,16H2,1-3H3,(H,25,28);3-11H,12-16H2,1-2H3,(H2,24,28)(H,25,29).
What are the key properties of 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile?
8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile has a molecular weight of 1751.20 g/mol, XLogP of 11.54, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-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]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile is sourced from PubChem (CID 162020136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).