3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile

C167H239F3N26O10 — CID 160936436

IUPAC3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2CC1(F)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(C#N)CCC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(CO)COC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(F)CC1)C(=O)N2CC1(F)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(N)COC1)C(=O)N2CC1CC1
InChIInChI=1S/C26H36N4O.C25H35FN4O.C25H37N3O3.C24H33F2N3O.C24H36N4O2.C22H32N4O.C21H30N4O/c1-28(2)26(22-7-4-3-5-8-22)15-13-25(14-16-26)20-29(19-24(18-27)11-6-12-24)23(31)30(25)17-21-9-10-21;1-22(2,16-27)17-29-19-24(30(21(29)31)18-23(26)10-11-23)12-14-25(15-13-24,28(3)4)20-8-6-5-7-9-20;1-26(2)25(21-6-4-3-5-7-21)12-10-24(11-13-25)16-27(15-23(17-29)18-31-19-23)22(30)28(24)14-20-8-9-20;1-27(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-28(16-21(25)8-9-21)20(30)29(23)17-22(26)10-11-22;1-26(2)24(20-6-4-3-5-7-20)12-10-23(11-13-24)16-27(15-22(25)17-30-18-22)21(29)28(23)14-19-8-9-19;1-5-25(4)22(18-9-7-6-8-10-18)13-11-21(12-14-22)17-26(19(27)24-21)16-20(2,3)15-23;1-19(2,14-22)15-25-16-20(23-18(25)26)10-12-21(13-11-20,24(3)4)17-8-6-5-7-9-17/h3-5,7-8,21H,6,9-17,19-20H2,1-2H3;5-9H,10-15,17-19H2,1-4H3;3-7,20,29H,8-19H2,1-2H3;3-7H,8-18H2,1-2H3;3-7,19H,8-18,25H2,1-2H3;6-10H,5,11-14,16-17H2,1-4H3,(H,24,27);5-9H,10-13,15-16H2,1-4H3,(H,23,26)
InChIKeySTYBTRUDGNMTMI-UHFFFAOYSA-N
MW2827.91 g/mol
LogP26.24
Rot. Bonds40

About 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile

3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (PubChem CID 160936436) has the molecular formula C167H239F3N26O10 and a molecular weight of 2827.91 g/mol. Its IUPAC name is 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
PubChem CID160936436
Molecular FormulaC167H239F3N26O10
Molecular Weight2827.91 g/mol
Exact Mass2825.89
IUPAC Name3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2CC1(F)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(C#N)CCC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(CO)COC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(F)CC1)C(=O)N2CC1(F)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(N)COC1)C(=O)N2CC1CC1
InChIInChI=1S/C26H36N4O.C25H35FN4O.C25H37N3O3.C24H33F2N3O.C24H36N4O2.C22H32N4O.C21H30N4O/c1-28(2)26(22-7-4-3-5-8-22)15-13-25(14-16-26)20-29(19-24(18-27)11-6-12-24)23(31)30(25)17-21-9-10-21;1-22(2,16-27)17-29-19-24(30(21(29)31)18-23(26)10-11-23)12-14-25(15-13-24,28(3)4)20-8-6-5-7-9-20;1-26(2)25(21-6-4-3-5-7-21)12-10-24(11-13-25)16-27(15-23(17-29)18-31-19-23)22(30)28(24)14-20-8-9-20;1-27(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-28(16-21(25)8-9-21)20(30)29(23)17-22(26)10-11-22;1-26(2)24(20-6-4-3-5-7-20)12-10-23(11-13-24)16-27(15-22(25)17-30-18-22)21(29)28(23)14-19-8-9-19;1-5-25(4)22(18-9-7-6-8-10-18)13-11-21(12-14-22)17-26(19(27)24-21)16-20(2,3)15-23;1-19(2,14-22)15-25-16-20(23-18(25)26)10-12-21(13-11-20,24(3)4)17-8-6-5-7-9-17/h3-5,7-8,21H,6,9-17,19-20H2,1-2H3;5-9H,10-15,17-19H2,1-4H3;3-7,20,29H,8-19H2,1-2H3;3-7H,8-18H2,1-2H3;3-7,19H,8-18,25H2,1-2H3;6-10H,5,11-14,16-17H2,1-4H3,(H,24,27);5-9H,10-13,15-16H2,1-4H3,(H,23,26)
InChIKeySTYBTRUDGNMTMI-UHFFFAOYSA-N
XLogP26.24
TPSA364.98 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002827.91
LogP ≤ 526.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]pyrrolidine-2,5-dione
CID 130202953
3-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 166647377
3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 130202962
1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 157220490
5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 130201248
N-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
CID 130200929
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159505179
3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 146430046
5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
CID 157213807
1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-iodo-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 155183064
8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 160636633
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 161422645

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (CID 160936436) is 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is CCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2CC1(F)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(C#N)CCC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(CO)COC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(F)CC1)C(=O)N2CC1(F)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(N)COC1)C(=O)N2CC1CC1.
What is the InChIKey of 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The InChIKey is STYBTRUDGNMTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O.C25H35FN4O.C25H37N3O3.C24H33F2N3O.C24H36N4O2.C22H32N4O.C21H30N4O/c1-28(2)26(22-7-4-3-5-8-22)15-13-25(14-16-26)20-29(19-24(18-27)11-6-12-24)23(31)30(25)17-21-9-10-21;1-22(2,16-27)17-29-19-24(30(21(29)31)18-23(26)10-11-23)12-14-25(15-13-24,28(3)4)20-8-6-5-7-9-20;1-26(2)25(21-6-4-3-5-7-21)12-10-24(11-13-25)16-27(15-23(17-29)18-31-19-23)22(30)28(24)14-20-8-9-20;1-27(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-28(16-21(25)8-9-21)20(30)29(23)17-22(26)10-11-22;1-26(2)24(20-6-4-3-5-7-20)12-10-23(11-13-24)16-27(15-22(25)17-30-18-22)21(29)28(23)14-19-8-9-19;1-5-25(4)22(18-9-7-6-8-10-18)13-11-21(12-14-22)17-26(19(27)24-21)16-20(2,3)15-23;1-19(2,14-22)15-25-16-20(23-18(25)26)10-12-21(13-11-20,24(3)4)17-8-6-5-7-9-17/h3-5,7-8,21H,6,9-17,19-20H2,1-2H3;5-9H,10-15,17-19H2,1-4H3;3-7,20,29H,8-19H2,1-2H3;3-7H,8-18H2,1-2H3;3-7,19H,8-18,25H2,1-2H3;6-10H,5,11-14,16-17H2,1-4H3,(H,24,27);5-9H,10-13,15-16H2,1-4H3,(H,23,26).
What are the key properties of 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile has a molecular weight of 2827.91 g/mol, XLogP of 26.24, 40 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 160936436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).