70158318 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 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 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 10 11 8 9 10 10 11 30 6 7 20 21 8 22 23 9 24 25 26 27 28 29 12 13 31 14 32 15 16 17 33 18 34 19 35 19 36 37 2 2 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 2 1 1 1 1 12 11 31 13 32 14 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 7.1962 6.3301 6.3301 5.4641 6.3301 5.4641 7.1962 5.4641 7.1962 6.3301 5.4641 4.5981 4.5981 3.732 2.866 3.732 2 2.866 2 6.7287 5.9316 5.252 4.8535 7.8067 7.4082 4.8535 5.252 7.4082 7.8067 4.9272 4.0611 5.135 2.866 4.269 1.4631 2.866 1.4631 0.5 -1 2 0.5 4 3.5 3.5 2.5 2.5 1 -0.5 -1 -2 -2.5 -2 -3.5 -2.5 -4 -3.5 4.475 4.475 4.0826 3.3923 3.3923 4.0826 2.6077 1.9174 1.9174 2.6077 0.81 -0.69 -2.31 -1.38 -3.81 -2.19 -4.62 -3.81 8 8 8 8 8 8 14 14 15 16 17 18 15 16 17 18 19 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 340 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07330000000000000000000000000000000000000003C4000000000000000010000001E00100000000C00C19804310083C000008802215210008200002000000888000800C88820228091108420002897228889871080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperidinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(<I>E</I>)-3-phenylprop-2-enoyl]piperidine-1-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(E)-3-phenylacryloyl]piperidine-1-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H18N2O2/c18-14(10-9-13-7-3-1-4-8-13)16-15(19)17-11-5-2-6-12-17/h1,3-4,7-10H,2,5-6,11-12H2,(H,16,18,19)/b10-9+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SXFAVZCGUJBHGG-MDZDMXLPSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.136827821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H18N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCN(CC1)C(=O)NC(=O)C=CC2=CC=CC=C2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCN(CC1)C(=O)NC(=O)/C=C/C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.136827821 19 0 0 0 1 1 0 0 1 -1