1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

C115H145F6N17O6S2 — CID 161162985

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccccn3)s1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1S(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCCC3)n1)C(=O)N2CC1CCC1
InChIInChI=1S/C30H36N4OS.C29H36F3N3O3S.C29H40N6O.C27H33F3N4O/c1-32(2)30(24-11-4-3-5-12-24)18-16-29(17-19-30)22-33(28(35)34(29)21-23-9-8-10-23)27-15-14-26(36-27)25-13-6-7-20-31-25;1-33(2)28(22-10-5-4-6-11-22)16-14-27(15-17-28)20-34(26(36)35(27)19-21-8-7-9-21)24-13-12-23(29(30,31)32)18-25(24)39(3,37)38;1-32(2)29(24-11-4-3-5-12-24)16-14-28(15-17-29)22-34(27(36)35(28)21-23-9-8-10-23)25-13-18-30-26(31-25)33-19-6-7-20-33;1-32(2)26(21-9-4-3-5-10-21)15-13-25(14-16-26)19-33(24(35)34(25)18-20-7-6-8-20)22-11-12-23(31-17-22)27(28,29)30/h3-7,11-15,20,23H,8-10,16-19,21-22H2,1-2H3;4-6,10-13,18,21H,7-9,14-17,19-20H2,1-3H3;3-5,11-13,18,23H,6-10,14-17,19-22H2,1-2H3;3-5,9-12,17,20H,6-8,13-16,18-19H2,1-2H3
InChIKeyUQDXRTQWGIYYHS-UHFFFAOYSA-N
MW2039.66 g/mol
LogP23.34
Rot. Bonds23

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 161162985) has the molecular formula C115H145F6N17O6S2 and a molecular weight of 2039.66 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID161162985
Molecular FormulaC115H145F6N17O6S2
Molecular Weight2039.66 g/mol
Exact Mass2038.09
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccccn3)s1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1S(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCCC3)n1)C(=O)N2CC1CCC1
InChIInChI=1S/C30H36N4OS.C29H36F3N3O3S.C29H40N6O.C27H33F3N4O/c1-32(2)30(24-11-4-3-5-12-24)18-16-29(17-19-30)22-33(28(35)34(29)21-23-9-8-10-23)27-15-14-26(36-27)25-13-6-7-20-31-25;1-33(2)28(22-10-5-4-6-11-22)16-14-27(15-17-28)20-34(26(36)35(27)19-21-8-7-9-21)24-13-12-23(29(30,31)32)18-25(24)39(3,37)38;1-32(2)29(24-11-4-3-5-12-24)16-14-28(15-17-29)22-34(27(36)35(28)21-23-9-8-10-23)25-13-18-30-26(31-25)33-19-6-7-20-33;1-32(2)26(21-9-4-3-5-10-21)15-13-25(14-16-26)19-33(24(35)34(25)18-20-7-6-8-20)22-11-12-23(31-17-22)27(28,29)30/h3-7,11-15,20,23H,8-10,16-19,21-22H2,1-2H3;4-6,10-13,18,21H,7-9,14-17,19-20H2,1-3H3;3-5,11-13,18,23H,6-10,14-17,19-22H2,1-2H3;3-5,9-12,17,20H,6-8,13-16,18-19H2,1-2H3
InChIKeyUQDXRTQWGIYYHS-UHFFFAOYSA-N
XLogP23.34
TPSA196.10 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.66
LogP ≤ 523.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-(2-Cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 158680316
4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
CID 158790984
1-(Cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(3-pyrrolidin-1-ylphenyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
CID 160042210
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)
CID 160390313

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (CID 161162985) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccccn3)s1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1S(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCCC3)n1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UQDXRTQWGIYYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4OS.C29H36F3N3O3S.C29H40N6O.C27H33F3N4O/c1-32(2)30(24-11-4-3-5-12-24)18-16-29(17-19-30)22-33(28(35)34(29)21-23-9-8-10-23)27-15-14-26(36-27)25-13-6-7-20-31-25;1-33(2)28(22-10-5-4-6-11-22)16-14-27(15-17-28)20-34(26(36)35(27)19-21-8-7-9-21)24-13-12-23(29(30,31)32)18-25(24)39(3,37)38;1-32(2)29(24-11-4-3-5-12-24)16-14-28(15-17-29)22-34(27(36)35(28)21-23-9-8-10-23)25-13-18-30-26(31-25)33-19-6-7-20-33;1-32(2)26(21-9-4-3-5-10-21)15-13-25(14-16-26)19-33(24(35)34(25)18-20-7-6-8-20)22-11-12-23(31-17-22)27(28,29)30/h3-7,11-15,20,23H,8-10,16-19,21-22H2,1-2H3;4-6,10-13,18,21H,7-9,14-17,19-20H2,1-3H3;3-5,11-13,18,23H,6-10,14-17,19-22H2,1-2H3;3-5,9-12,17,20H,6-8,13-16,18-19H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 2039.66 g/mol, XLogP of 23.34, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(5-pyridin-2-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 161162985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).