807888 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 8 8 8 8 7 7 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 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 13 13 14 14 14 15 15 16 16 16 17 17 18 18 19 19 20 20 21 12 14 13 15 11 12 7 8 11 9 10 12 10 22 23 9 24 25 26 27 28 29 13 30 31 16 32 33 17 18 34 35 36 19 37 20 38 21 39 21 40 41 1 1 1 1 2 2 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 1 1 1 2 1 2 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 6.3301 4.5981 6.3301 4.5981 5.4641 5.4641 4.5981 6.3301 6.3301 4.5981 5.4641 5.4641 4.5981 6.3301 3.732 7.1962 2.866 3.732 2 2.866 2 3.9875 4.386 6.5422 6.9407 6.9407 6.5422 4.386 3.9875 4.386 3.9875 6.1181 5.7196 7.5062 7.7331 6.8862 2.866 4.269 1.4631 2.866 1.4631 3.25 -2.75 -1.75 3.25 -0.25 1.75 0.25 0.25 1.25 1.25 -1.25 2.75 -1.75 4.25 -3.25 4.75 -2.75 -4.25 -3.25 -4.75 -4.25 0.3577 -0.3326 -0.3326 0.3577 1.1423 1.8326 1.8326 1.1423 -1.1674 -1.8577 4.8326 4.1423 4.2131 5.06 5.2869 -2.13 -4.56 -2.94 -5.37 -4.56 8 8 8 8 8 8 15 15 17 18 19 20 17 18 19 20 21 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 348 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07338000000000000000000000000000000000000003C4000000000000000010000001E00000000000804E19006320E830004008800215218020208002020000888004E08880E662284311E9B3820A4C61198A8078040000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-(1-oxo-2-phenoxyethyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl 4-(2-phenoxyethanoyl)piperazine-1-carboxylate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-(2-phenoxyacetyl)piperazine-1-carboxylic acid ethyl ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C15H20N2O4/c1-2-20-15(19)17-10-8-16(9-11-17)14(18)12-21-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WXUDFHFVAHSFFS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 292.142307 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C15H20N2O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 292.3303 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 59.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 292.142307 21 0 0 0 0 0 0 0 1 1