60503528 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 8 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 1 1 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 15 15 16 17 17 18 18 18 19 19 20 20 21 22 23 23 23 24 24 25 25 26 26 26 27 13 14 16 23 22 27 8 9 12 10 11 13 14 18 38 10 28 29 11 30 31 32 33 34 35 14 36 37 15 16 17 19 20 39 22 40 41 21 42 21 43 44 24 26 45 46 25 47 27 48 49 50 51 52 2 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 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 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 50 51 52 6.3301 7.1962 3.732 8.0052 5.4641 5.4641 6.3301 4.5981 6.3301 4.5981 6.3301 5.4641 5.4641 6.3301 4.5981 3.732 4.5981 7.1962 2.866 3.732 2.866 7.1962 2.866 6.3871 6.6962 2 7.6962 4.386 3.9875 6.9407 6.5422 3.9875 4.386 6.5422 6.9407 5.252 4.8535 5.7932 5.135 7.4082 7.8067 2.3291 3.732 2.3291 3.2646 2.4675 5.7975 6.3317 1.69 1.4631 2.31 8.0606 -3.7694 0.7306 -2.2694 4.3184 -0.2694 -2.2694 2.2306 -0.7694 -0.7694 -1.7694 -1.7694 0.7306 -3.2694 1.2306 -3.7694 -3.2694 -4.7694 2.7306 -3.7694 -5.2694 -4.7694 3.7306 -1.7694 4.3184 5.2694 -2.2694 5.2694 -0.1868 -0.8771 -0.8771 -0.1868 -1.6618 -2.352 -2.352 -1.6618 1.3132 0.6229 2.5406 -5.0794 2.148 2.8382 -3.4594 -5.8894 -5.0794 -1.2945 -1.2945 4.1268 5.771 -1.7325 -2.5794 -2.8064 5.771 8 8 8 8 8 8 8 8 8 8 8 4 4 15 15 16 17 19 20 22 24 25 22 27 16 17 19 20 21 21 24 25 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 494 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38000000000000000000000000000001200000003C400000000000000001C000001E00100000000C04E19806320683C004408802A95290008208002420000888818E0CC80E663684B53B973968E6F61198A98798D9228E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-furylmethyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[(2-ethoxyphenyl)-oxomethyl]-1-piperazinyl]-N-(2-furanylmethyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-<I>N</I>-(furan-2-ylmethyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-ethoxyphenyl)carbonylpiperazin-1-yl]-N-(furan-2-ylmethyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-ethoxybenzoyl)piperazino]-N-(2-furfuryl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H25N3O4/c1-2-26-18-8-4-3-7-17(18)20(25)23-11-9-22(10-12-23)15-19(24)21-14-16-6-5-13-27-16/h3-8,13H,2,9-12,14-15H2,1H3,(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MARUPXSBCHADBQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.18450629 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H25N3O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=CC=C1C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=CC=C1C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 75 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.18450629 27 0 0 0 0 0 0 0 1 -1