8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C72H97N11O6 — CID 159974169

IUPAC8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2.Cc1ccc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cc1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1
InChIInChI=1S/C27H35N3O2.C25H33N5O2.C20H29N3O2/c1-21-8-10-24(11-9-21)30-20-26(28-25(30)31)13-15-27(16-14-26,23-6-4-3-5-7-23)29(2)18-22-12-17-32-19-22;1-19-26-14-22(15-27-19)30-18-24(28-23(30)31)9-11-25(12-10-24,21-6-4-3-5-7-21)29(2)16-20-8-13-32-17-20;1-23(13-16-7-12-25-14-16)20(17-5-3-2-4-6-17)10-8-19(9-11-20)15-21-18(24)22-19/h3-11,22H,12-20H2,1-2H3,(H,28,31);3-7,14-15,20H,8-13,16-18H2,1-2H3,(H,28,31);2-6,16H,7-15H2,1H3,(H2,21,22,24)
InChIKeyOEXYSVSMMMORSC-UHFFFAOYSA-N
MW1212.64 g/mol
LogP10.67
Rot. Bonds14

About 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159974169) has the molecular formula C72H97N11O6 and a molecular weight of 1212.64 g/mol. Its IUPAC name is 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID159974169
Molecular FormulaC72H97N11O6
Molecular Weight1212.64 g/mol
Exact Mass1211.76
IUPAC Name8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2.Cc1ccc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cc1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1
InChIInChI=1S/C27H35N3O2.C25H33N5O2.C20H29N3O2/c1-21-8-10-24(11-9-21)30-20-26(28-25(30)31)13-15-27(16-14-26,23-6-4-3-5-7-23)29(2)18-22-12-17-32-19-22;1-19-26-14-22(15-27-19)30-18-24(28-23(30)31)9-11-25(12-10-24,21-6-4-3-5-7-21)29(2)16-20-8-13-32-17-20;1-23(13-16-7-12-25-14-16)20(17-5-3-2-4-6-17)10-8-19(9-11-20)15-21-18(24)22-19/h3-11,22H,12-20H2,1-2H3,(H,28,31);3-7,14-15,20H,8-13,16-18H2,1-2H3,(H,28,31);2-6,16H,7-15H2,1H3,(H2,21,22,24)
InChIKeyOEXYSVSMMMORSC-UHFFFAOYSA-N
XLogP10.67
TPSA169.00 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001212.64
LogP ≤ 510.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

8-[Methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 130201054
8-[1-(Oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 140797726
8-(Dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
CID 158716837
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
US10807988, Example SC_3325
CID 130201273
8-[Methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201436
8-[Methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130210370
3-[2-(4-Methylpiperazin-1-yl)pyrimidin-5-yl]-8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 156757629
3-(2-Morpholin-4-ylpyrimidin-5-yl)-8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 156757633
3-(2-Chloropyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-methoxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157481335
Bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 158097091
8-Benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-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;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 158120572

Frequently Asked Questions

What is the IUPAC name of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 159974169) is 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2.Cc1ccc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cc1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1.
What is the InChIKey of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is OEXYSVSMMMORSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2.C25H33N5O2.C20H29N3O2/c1-21-8-10-24(11-9-21)30-20-26(28-25(30)31)13-15-27(16-14-26,23-6-4-3-5-7-23)29(2)18-22-12-17-32-19-22;1-19-26-14-22(15-27-19)30-18-24(28-23(30)31)9-11-25(12-10-24,21-6-4-3-5-7-21)29(2)16-20-8-13-32-17-20;1-23(13-16-7-12-25-14-16)20(17-5-3-2-4-6-17)10-8-19(9-11-20)15-21-18(24)22-19/h3-11,22H,12-20H2,1-2H3,(H,28,31);3-7,14-15,20H,8-13,16-18H2,1-2H3,(H,28,31);2-6,16H,7-15H2,1H3,(H2,21,22,24).
What are the key properties of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1212.64 g/mol, XLogP of 10.67, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(4-methylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159974169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).