58913008 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 8 8 8 7 7 7 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 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 21 21 23 23 24 24 25 25 26 16 20 22 7 8 16 11 13 14 12 22 45 9 27 28 10 29 30 12 19 12 31 32 15 33 34 17 35 36 18 37 38 16 39 40 20 41 42 20 43 44 21 23 22 24 25 46 26 47 26 48 49 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 1 1 1 1 2 1 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 7.2077 2 12.466 8.0679 4.6038 10.7339 8.974 8.0679 9.8679 8.974 5.4718 9.8679 3.7398 4.6 6.3359 7.2038 2.8718 3.732 10.7339 2.868 11.6 11.6 10.7179 12.51 11.6159 12.518 9.3786 8.5804 7.4571 7.8589 8.5804 9.3786 5.8721 5.0751 4.1401 3.343 4.8098 5.211 5.9355 6.7326 2.662 2.2608 3.3317 4.1287 10.7339 10.1774 13.0433 11.6135 13.0561 1.5495 -1.4304 -1.4746 0.0462 0.0595 -1.4746 0.56 -0.9954 0.0254 -1.5093 0.5562 -0.9746 0.5629 -0.9405 0.0529 0.5495 0.0662 -1.4371 0.5254 -0.9338 0.0254 -0.9746 1.5669 0.5322 2.0946 1.5738 1.0298 1.039 -0.8894 -1.5791 -1.9883 -1.9791 1.0296 1.0327 1.0363 1.0394 -1.5239 -0.8351 -0.4205 -0.4236 0.6496 -0.0391 -1.9105 -1.9136 -2.0946 1.8706 0.216 2.7146 1.8817 8 8 8 8 8 8 8 8 8 8 8 6 6 9 9 19 19 21 21 23 24 25 12 22 12 19 21 23 22 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 632 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C4081000000000000B10000001E00100000000C0CC19804300083C000008802A55250008200002400000888010804C808203A80D5118421086096008889871889808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(4-oxo-1-piperidyl)propanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-oxo-3-(4-oxo-1-piperidinyl)propyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(4-oxopiperidin-1-yl)propanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(4-oxopiperidin-1-yl)propanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(4-oxidanylidenepiperidin-1-yl)propanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(4-ketopiperidino)propanoyl]-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H23N3O3/c24-14-5-9-22(10-6-14)11-8-19(25)23-12-7-18-17(13-23)15-3-1-2-4-16(15)20(26)21-18/h1-4H,5-13H2,(H,21,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UPTCYHBHGPHLIM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.17394160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H23N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CCC1=O)CCC(=O)N2CCC3=C(C2)C4=CC=CC=C4C(=O)N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CCC1=O)CCC(=O)N2CCC3=C(C2)C4=CC=CC=C4C(=O)N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 69.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.17394160 26 0 0 0 0 0 0 0 1 -1