56890953 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 7 7 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 14 14 15 15 16 16 17 18 18 19 20 20 20 21 21 22 22 22 23 23 24 13 17 24 6 7 10 8 9 11 13 20 39 8 25 26 9 27 28 29 30 31 32 12 33 34 13 35 36 14 15 16 17 18 37 19 38 21 19 40 41 22 42 43 23 44 45 46 47 24 48 49 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 1 2 2 1 1 1 1 1 1 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 4.5981 9.8512 8.0622 6.3301 3.732 8.0622 7.1962 7.1962 6.3301 8.9282 5.4641 9.7942 4.5981 10.6603 9.7942 11.5263 10.6603 10.6603 11.5263 2.866 11.4693 2 11.1603 10.1603 8.2742 8.6728 7.5947 6.7976 6.7976 7.5947 6.1181 5.7196 9.3267 8.5297 5.0656 5.8626 9.2573 12.0632 3.732 10.6603 12.0632 3.2646 2.4675 12.0589 1.69 1.4631 2.31 11.5247 9.7958 -0.4594 1.6284 -0.4594 -1.4594 -1.9594 -1.4594 0.0406 -1.9594 -0.4594 0.0406 -1.9594 -0.4594 -1.4594 0.0406 -1.4594 -0.4594 1.0406 -1.9594 -1.4594 -1.4594 1.6284 -1.9594 2.5794 2.5794 -2.042 -1.3518 0.5155 0.5155 -2.4344 -2.4344 0.1232 -0.5671 0.5155 0.5155 -2.4344 -2.4344 -1.7694 -0.1494 -2.5794 -2.5794 -1.7694 -0.9845 -0.9845 1.4368 -1.4225 -2.2694 -2.4964 3.081 3.081 8 8 8 8 8 8 8 8 8 8 8 2 2 12 12 14 15 16 17 18 21 23 17 24 14 15 16 18 19 21 19 23 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 396 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001200000003C400000000000000001C000001E00100000000C04E19806320483C004408802A95290008208002420000888818E0CC80C663284B53B963928E4D61188A987BCC8F08E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-[4-[[2-(2-furyl)phenyl]methyl]piperazin-1-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-[4-[[2-(2-furanyl)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-ethyl-2-[4-[[2-(furan-2-yl)phenyl]methyl]piperazin-1-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-[4-[[2-(furan-2-yl)phenyl]methyl]piperazin-1-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-[4-[[2-(furan-2-yl)phenyl]methyl]piperazin-1-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-[4-[2-(2-furyl)benzyl]piperazino]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H25N3O2/c1-2-20-19(23)15-22-11-9-21(10-12-22)14-16-6-3-4-7-17(16)18-8-5-13-24-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UEUXMHYUVSGKBX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.19467705 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H25N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)CN1CCN(CC1)CC2=CC=CC=C2C3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)CN1CCN(CC1)CC2=CC=CC=C2C3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 48.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.19467705 24 0 0 0 0 0 0 0 1 -1