54703747 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 16 17 17 18 18 19 19 20 21 21 21 22 22 23 23 25 25 25 26 26 27 27 27 28 28 28 16 52 15 24 27 26 28 7 8 9 15 19 21 13 14 29 10 30 31 11 32 33 12 34 35 12 36 37 38 39 15 16 17 18 20 22 40 23 41 20 25 42 26 43 44 24 45 24 46 47 48 49 50 51 53 54 55 56 57 58 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 5 13 14 29 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 3.732 7.1962 2 8.0622 6.3301 6.3301 5.4641 7.1962 6.3301 8.0622 7.1962 8.0622 5.4641 4.5981 6.3301 4.5981 3.732 4.5981 5.4641 4.5981 7.1962 2.866 3.732 2.866 5.4641 7.1962 2 8.0622 5.4641 6.7976 7.5947 6.1181 5.7196 8.2742 8.6728 7.5947 6.7976 8.6728 8.2742 3.732 5.135 4.0611 7.8067 7.4082 2.3291 3.732 4.8441 5.4641 6.0841 6.5856 6.9841 3.1951 2.62 2 1.38 7.4422 8.0622 8.6822 0.25 0.25 3.25 -3.25 1.75 -1.25 1.25 1.25 2.75 1.75 3.25 2.75 0.25 1.75 -0.25 -0.25 1.25 2.75 -1.75 -1.25 -1.75 1.75 3.25 2.75 -2.75 -2.75 4.25 -4.25 1.87 0.7751 0.7751 3.3326 2.6423 1.1674 1.8577 3.725 3.725 2.6423 3.3326 0.63 3.06 -1.56 -1.8577 -1.1674 1.44 3.87 -2.75 -3.37 -2.75 -2.6423 -3.3326 -0.06 4.25 4.87 4.25 -4.25 -4.87 -4.25 8 8 3 8 8 8 8 8 8 8 8 8 8 6 6 7 13 13 14 14 16 17 18 19 22 23 15 19 14 15 16 17 18 20 22 23 20 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 602 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B38000000000000000000000000000000000000003C4080000000000000010000001E00000800000C2CE198063206830006008802255250008208002022000888010E0CC80E263A84F11B85302864C61198B90798D8A38E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-(2-methoxyethyl)-3-[(4-methoxyphenyl)-(1-piperidyl)methyl]-6-methyl-pyridin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-(2-methoxyethyl)-3-[(4-methoxyphenyl)-(1-piperidinyl)methyl]-6-methyl-2-pyridinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-(2-methoxyethyl)-3-[(4-methoxyphenyl)-piperidin-1-ylmethyl]-6-methylpyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-(2-methoxyethyl)-3-[(4-methoxyphenyl)-piperidin-1-ylmethyl]-6-methylpyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)-piperidin-1-yl-methyl]-6-methyl-4-oxidanyl-pyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-(2-methoxyethyl)-3-[(4-methoxyphenyl)-piperidino-methyl]-6-methyl-2-pyridone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H30N2O4/c1-16-15-19(25)20(22(26)24(16)13-14-27-2)21(23-11-5-4-6-12-23)17-7-9-18(28-3)10-8-17/h7-10,15,21,25H,4-6,11-14H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UKXNQBWEXOYXIV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.22055744 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H30N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C(=O)N1CCOC)C(C2=CC=C(C=C2)OC)N3CCCCC3)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C(=O)N1CCOC)C(C2=CC=C(C=C2)OC)N3CCCCC3)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 62.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.22055744 28 1 0 1 0 0 0 0 1 -1