3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid

C216H282F3N25O26S — CID 160669540

IUPAC3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(N)=O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCCO3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CCS(C)(=O)=O)C2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H39N3O3.C28H37N3O3.C28H37N3O2.C27H37N3O4S.C27H35N3O4.C26H34N4O3.C26H33N3O4.C23H29N3O.C2HF3O2/c1-30(2)29(24-8-5-4-6-9-24)17-15-28(16-18-29)22-31(20-23-11-13-25(34-3)14-12-23)27(33)32(28)21-26-10-7-19-35-26;1-29-28(23-7-4-3-5-8-23)17-15-26(16-18-28)20-30(19-22-9-11-24(34-2)12-10-22)25(32)31(26)21-27(33)13-6-14-27;1-29-28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-30(19-23-11-13-25(33-2)14-12-23)26(32)31(27)20-22-7-6-8-22;1-28(2)27(23-8-6-5-7-9-23)16-14-26(15-17-27)21-29(20-22-10-12-24(34-3)13-11-22)25(31)30(26)18-19-35(4,32)33;1-28(2)27(22-8-6-5-7-9-22)16-14-26(15-17-27)20-29(25(32)30(26)19-24(31)34-4)18-21-10-12-23(33-3)13-11-21;1-28(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-29(24(32)30(25)18-23(27)31)17-20-9-11-22(33-3)12-10-20;1-27(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-28(24(32)29(25)18-23(30)31)17-20-9-11-22(33-3)12-10-20;1-25(2)23(20-11-7-4-8-12-20)15-13-22(14-16-23)18-26(21(27)24-22)17-19-9-5-3-6-10-19;3-2(4,5)1(6)7/h4-6,8-9,11-14,26H,7,10,15-22H2,1-3H3;3-5,7-12,29,33H,6,13-21H2,1-2H3;3-5,9-14,22,29H,6-8,15-21H2,1-2H3;5-13H,14-21H2,1-4H3;5-13H,14-20H2,1-4H3;4-12H,13-19H2,1-3H3,(H2,27,31);4-12H,13-19H2,1-3H3,(H,30,31);3-12H,13-18H2,1-2H3,(H,24,27);(H,6,7)
InChIKeyCTKSCAKXKRODQX-UHFFFAOYSA-N
MW3733.84 g/mol
LogP33.53
Rot. Bonds54

About 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid

3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid (PubChem CID 160669540) has the molecular formula C216H282F3N25O26S and a molecular weight of 3733.84 g/mol. Its IUPAC name is 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid
PubChem CID160669540
Molecular FormulaC216H282F3N25O26S
Molecular Weight3733.84 g/mol
Exact Mass3731.12
IUPAC Name3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(N)=O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCCO3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CCS(C)(=O)=O)C2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H39N3O3.C28H37N3O3.C28H37N3O2.C27H37N3O4S.C27H35N3O4.C26H34N4O3.C26H33N3O4.C23H29N3O.C2HF3O2/c1-30(2)29(24-8-5-4-6-9-24)17-15-28(16-18-29)22-31(20-23-11-13-25(34-3)14-12-23)27(33)32(28)21-26-10-7-19-35-26;1-29-28(23-7-4-3-5-8-23)17-15-26(16-18-28)20-30(19-22-9-11-24(34-2)12-10-22)25(32)31(26)21-27(33)13-6-14-27;1-29-28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-30(19-23-11-13-25(33-2)14-12-23)26(32)31(27)20-22-7-6-8-22;1-28(2)27(23-8-6-5-7-9-23)16-14-26(15-17-27)21-29(20-22-10-12-24(34-3)13-11-22)25(31)30(26)18-19-35(4,32)33;1-28(2)27(22-8-6-5-7-9-22)16-14-26(15-17-27)20-29(25(32)30(26)19-24(31)34-4)18-21-10-12-23(33-3)13-11-21;1-28(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-29(24(32)30(25)18-23(27)31)17-20-9-11-22(33-3)12-10-20;1-27(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-28(24(32)29(25)18-23(30)31)17-20-9-11-22(33-3)12-10-20;1-25(2)23(20-11-7-4-8-12-20)15-13-22(14-16-23)18-26(21(27)24-22)17-19-9-5-3-6-10-19;3-2(4,5)1(6)7/h4-6,8-9,11-14,26H,7,10,15-22H2,1-3H3;3-5,7-12,29,33H,6,13-21H2,1-2H3;3-5,9-14,22,29H,6-8,15-21H2,1-2H3;5-13H,14-21H2,1-4H3;5-13H,14-20H2,1-4H3;4-12H,13-19H2,1-3H3,(H2,27,31);4-12H,13-19H2,1-3H3,(H,30,31);3-12H,13-18H2,1-2H3,(H,24,27);(H,6,7)
InChIKeyCTKSCAKXKRODQX-UHFFFAOYSA-N
XLogP33.53
TPSA512.89 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds54
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003733.84
LogP ≤ 533.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid (CID 160669540) is 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(N)=O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCCO3)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CCS(C)(=O)=O)C2=O)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid?
The InChIKey is CTKSCAKXKRODQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3.C28H37N3O3.C28H37N3O2.C27H37N3O4S.C27H35N3O4.C26H34N4O3.C26H33N3O4.C23H29N3O.C2HF3O2/c1-30(2)29(24-8-5-4-6-9-24)17-15-28(16-18-29)22-31(20-23-11-13-25(34-3)14-12-23)27(33)32(28)21-26-10-7-19-35-26;1-29-28(23-7-4-3-5-8-23)17-15-26(16-18-28)20-30(19-22-9-11-24(34-2)12-10-22)25(32)31(26)21-27(33)13-6-14-27;1-29-28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-30(19-23-11-13-25(33-2)14-12-23)26(32)31(27)20-22-7-6-8-22;1-28(2)27(23-8-6-5-7-9-23)16-14-26(15-17-27)21-29(20-22-10-12-24(34-3)13-11-22)25(31)30(26)18-19-35(4,32)33;1-28(2)27(22-8-6-5-7-9-22)16-14-26(15-17-27)20-29(25(32)30(26)19-24(31)34-4)18-21-10-12-23(33-3)13-11-21;1-28(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-29(24(32)30(25)18-23(27)31)17-20-9-11-22(33-3)12-10-20;1-27(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-28(24(32)29(25)18-23(30)31)17-20-9-11-22(33-3)12-10-20;1-25(2)23(20-11-7-4-8-12-20)15-13-22(14-16-23)18-26(21(27)24-22)17-19-9-5-3-6-10-19;3-2(4,5)1(6)7/h4-6,8-9,11-14,26H,7,10,15-22H2,1-3H3;3-5,7-12,29,33H,6,13-21H2,1-2H3;3-5,9-14,22,29H,6-8,15-21H2,1-2H3;5-13H,14-21H2,1-4H3;5-13H,14-20H2,1-4H3;4-12H,13-19H2,1-3H3,(H2,27,31);4-12H,13-19H2,1-3H3,(H,30,31);3-12H,13-18H2,1-2H3,(H,24,27);(H,6,7).
What are the key properties of 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid?
3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid has a molecular weight of 3733.84 g/mol, XLogP of 33.53, 54 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160669540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).