1.0 2026-09-21 17:46:42 UTC 2026-09-21 17:46:42 UTC FDB116836 methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]piperidine-4-carboxylate methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]piperidine-4-carboxylate C22H26N8O3 450.4936 450.212786738 methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate COC(=O)C1CCN(CC1)C(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)N=C(N)N=C2N=C1 InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28) UKCFUFHREWUXJJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-benzoylpiperidines. 1-benzoylpiperidines are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group. 1-benzoylpiperidines Organic compounds Benzenoids Benzene and substituted derivatives Benzoyl derivatives Aromatic heteropolycyclic compounds Amino acids and derivatives Aminobenzamides Aminopyrimidines and derivatives Aniline and substituted anilines Aralkylamines Azacyclic compounds Benzamides Carbonyl compounds Dialkylarylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Methyl esters Monocarboxylic acids and derivatives N-benzoylpiperidines Organic oxides Organopnictogen compounds Piperidinecarboxylic acids Primary amines Pteridines and derivatives Pyrazines Tertiary carboxylic acid amides 1-benzoylpiperidine Amine Amino acid or derivatives Aminobenzamide Aminobenzoic acid or derivatives Aminopyrimidine Aniline or substituted anilines Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzamide Benzoic acid or derivatives Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Dialkylarylamine Heteroaromatic compound Hydrocarbon derivative Imidolactam Methyl ester Monocarboxylic acid or derivatives N-acyl-piperidine N-benzoylpiperidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Piperidinecarboxylic acid Primary amine Pteridine Pyrazine Pyrimidine Tertiary aliphatic/aromatic amine Tertiary amine Tertiary carboxylic acid amide logp 1.63 ALOGPS logs -3.27 ALOGPS solubility 2.42e-01 g/l ALOGPS logp 0.75 ChemAxon pka_strongest_acidic 15.87 ChemAxon pka_strongest_basic 3 ChemAxon iupac methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate ChemAxon average_mass 450.4936 ChemAxon mono_mass 450.212786738 ChemAxon smiles COC(=O)C1CCN(CC1)C(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)N=C(N)N=C2N=C1 ChemAxon formula C22H26N8O3 ChemAxon inchi InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28) ChemAxon inchikey UKCFUFHREWUXJJ-UHFFFAOYSA-N ChemAxon polar_surface_area 153.45 ChemAxon refractivity 125.89 ChemAxon polarizability 47.89 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 245295 Specdb::MsMs 245296 Specdb::MsMs 245297 Specdb::MsMs 265242 Specdb::MsMs 265243 Specdb::MsMs 265244