2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C71H92N12O6 — CID 160745771

IUPAC2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1cc(C(C)(C)O)ccc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(C(C)(C)O)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(N2CCOCC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O
InChIInChI=1S/C24H31N5O2.C24H31N3O2.C23H30N4O2/c1-18-13-21(28-9-11-31-12-10-28)25-14-20(18)29-17-23(26-22(29)30)15-24(16-23,27(2)3)19-7-5-4-6-8-19;1-17-13-19(22(2,3)29)11-12-20(17)27-16-23(25-21(27)28)14-24(15-23,26(4)5)18-9-7-6-8-10-18;1-16-11-19(21(2,3)29)24-12-18(16)27-15-22(25-20(27)28)13-23(14-22,26(4)5)17-9-7-6-8-10-17/h4-8,13-14H,9-12,15-17H2,1-3H3,(H,26,30);6-13,29H,14-16H2,1-5H3,(H,25,28);6-12,29H,13-15H2,1-5H3,(H,25,28)
InChIKeyRWEDFBPHOFLHAU-UHFFFAOYSA-N
MW1209.59 g/mol
LogP9.62
Rot. Bonds12

About 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 160745771) has the molecular formula C71H92N12O6 and a molecular weight of 1209.59 g/mol. Its IUPAC name is 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
PubChem CID160745771
Molecular FormulaC71H92N12O6
Molecular Weight1209.59 g/mol
Exact Mass1208.73
IUPAC Name2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1cc(C(C)(C)O)ccc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(C(C)(C)O)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(N2CCOCC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O
InChIInChI=1S/C24H31N5O2.C24H31N3O2.C23H30N4O2/c1-18-13-21(28-9-11-31-12-10-28)25-14-20(18)29-17-23(26-22(29)30)15-24(16-23,27(2)3)19-7-5-4-6-8-19;1-17-13-19(22(2,3)29)11-12-20(17)27-16-23(25-21(27)28)14-24(15-23,26(4)5)18-9-7-6-8-10-18;1-16-11-19(21(2,3)29)24-12-18(16)27-15-22(25-20(27)28)13-23(14-22,26(4)5)17-9-7-6-8-10-17/h4-8,13-14H,9-12,15-17H2,1-3H3,(H,26,30);6-13,29H,14-16H2,1-5H3,(H,25,28);6-12,29H,13-15H2,1-5H3,(H,25,28)
InChIKeyRWEDFBPHOFLHAU-UHFFFAOYSA-N
XLogP9.62
TPSA185.45 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.59
LogP ≤ 59.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

7-[6-(Difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 159771789
(3S)-1-[4-(2-hydroxypropan-2-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one;(3S)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-2-one
CID 155102309

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 160745771) is 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is Cc1cc(C(C)(C)O)ccc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(C(C)(C)O)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(N2CCOCC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.
What is the InChIKey of 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is RWEDFBPHOFLHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.C24H31N3O2.C23H30N4O2/c1-18-13-21(28-9-11-31-12-10-28)25-14-20(18)29-17-23(26-22(29)30)15-24(16-23,27(2)3)19-7-5-4-6-8-19;1-17-13-19(22(2,3)29)11-12-20(17)27-16-23(25-21(27)28)14-24(15-23,26(4)5)18-9-7-6-8-10-18;1-16-11-19(21(2,3)29)24-12-18(16)27-15-22(25-20(27)28)13-23(14-22,26(4)5)17-9-7-6-8-10-17/h4-8,13-14H,9-12,15-17H2,1-3H3,(H,26,30);6-13,29H,14-16H2,1-5H3,(H,25,28);6-12,29H,13-15H2,1-5H3,(H,25,28).
What are the key properties of 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1209.59 g/mol, XLogP of 9.62, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(4-methyl-6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 160745771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).