70536815 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 53 54 8 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 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 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 14 15 17 17 18 18 19 19 20 20 21 21 22 23 25 25 25 26 26 26 27 27 27 15 16 22 25 23 26 24 27 9 10 13 11 12 15 16 41 42 11 28 29 12 30 31 32 33 34 35 14 16 36 37 38 39 17 18 40 19 43 20 21 23 44 22 45 24 24 46 47 48 49 50 51 52 53 54 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 13 6 14 16 36 3 1 17 15 40 18 43 19 2 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 53 54 4.5981 8.0622 6.3301 2.866 4.5981 8.0622 6.3301 9.7942 7.1962 8.0622 6.3301 7.1962 8.9282 9.7942 5.4641 8.9282 5.4641 4.5981 4.5981 3.732 5.4641 5.4641 3.732 4.5981 7.1962 2 3.732 7.5947 6.7976 8.2742 8.6728 6.1181 5.7196 6.7976 7.5947 8.9282 9.4842 10.3312 10.1042 6.001 9.7942 10.3312 4.0611 3.1951 6.001 7.5062 7.7331 6.8862 2.31 1.4631 1.69 3.422 3.1951 4.042 1.44 4.44 -3.56 -3.56 -4.56 2.44 1.44 4.44 2.94 1.44 2.44 0.94 2.94 2.44 0.94 3.94 -0.06 -0.56 -1.56 -2.06 -2.06 -3.06 -3.06 -3.56 -3.06 -3.06 -5.06 3.415 3.415 0.8574 1.5477 3.0226 2.3323 0.4651 0.4651 2.32 1.9031 2.13 2.9769 -0.37 5.06 4.13 -0.25 -1.75 -1.75 -3.5969 -2.75 -2.5231 -2.5231 -2.75 -3.5969 -4.5231 -5.37 -5.5969 3 8 8 8 8 8 8 13 19 19 20 21 22 23 14 20 21 23 22 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 519 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B38000000000000000000000000000000000000003C4000000000000000010000001E00100000000C2CC198063206834004008802215210008208002020000888018E88C80D672284313A90302225D6158AA98780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-piperazinyl]propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-[(<I>E</I>)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]piperazino]propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H27N3O5/c1-13(19(20)24)21-7-9-22(10-8-21)17(23)6-5-14-11-15(25-2)18(27-4)16(12-14)26-3/h5-6,11-13H,7-10H2,1-4H3,(H2,20,24)/b6-5+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZZFWRTAXFXQTCH-AATRIKPKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.19507097 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H27N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C(=O)N)N1CCN(CC1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C(=O)N)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 94.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.19507097 27 1 0 1 1 1 0 0 1 -1