56913272 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 17 18 19 19 19 20 21 21 21 22 22 23 23 24 13 20 24 6 7 10 8 9 11 13 19 39 8 25 26 9 27 28 29 30 31 32 12 33 34 13 35 36 14 15 16 37 17 38 18 20 18 40 41 21 42 43 22 44 45 46 23 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 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 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 2 6.2731 3.732 3.732 2.866 4.5981 2.866 4.5981 2.866 3.732 3.732 4.5981 2.866 4.5981 5.4641 5.4641 6.3301 6.3301 2 5.4641 2 4.6551 4.9641 5.9641 5.2087 4.8101 2.654 2.2554 4.8101 5.2087 2.2554 2.654 3.52 3.1215 3.9441 4.3426 4.0611 5.4641 3.403 6.8671 6.8671 1.788 1.3894 1.38 2 2.62 4.0654 4.5997 6.3285 -2.7694 4.8184 0.2306 -1.7694 -4.2694 -0.2694 -0.2694 -1.2694 -1.2694 1.2306 -2.7694 1.7306 -3.2694 2.7306 1.2306 3.2306 1.7306 2.7306 -4.7694 4.2306 -5.7694 4.8184 5.7694 5.7694 -0.3771 0.3132 0.3132 -0.3771 -1.852 -1.1618 -1.1618 -1.852 1.8132 1.1229 -3.352 -2.6618 3.0406 0.6106 -4.5794 1.4206 3.0406 -4.1868 -4.8771 -5.7694 -6.3894 -5.7694 4.6268 6.271 6.271 8 8 8 8 8 8 8 8 8 8 8 2 2 12 12 14 15 16 17 20 22 23 20 24 14 15 16 17 18 18 22 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 00000371E07B30000000000000000000000000000001200000003C400000000000000001C000001E00100000000C04E19806320483C004408802A95290008208002420000888818E0CC80C663284B53B963928E4D61188A98798D9F28E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-ethyl-2-[4-[[3-(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-[[3-(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-[[3-(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-[[3-(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-[[3-(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-[3-(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)15-22-10-8-21(9-11-22)14-16-5-3-6-17(13-16)18-7-4-12-24-18/h3-7,12-13H,2,8-11,14-15H2,1H3,(H,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XBIZPLFUJIIDCJ-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=C2)C3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)CN1CCN(CC1)CC2=CC(=CC=C2)C3=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