56749380 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 7 7 7 6 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 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 12 13 14 14 15 15 15 16 16 17 17 18 19 19 20 20 21 21 22 23 23 24 24 25 13 6 9 10 5 13 37 18 24 6 7 26 27 28 8 29 30 9 31 32 33 34 11 35 36 12 38 39 14 40 41 15 16 17 18 42 43 19 44 20 45 21 22 46 22 47 23 48 49 25 50 25 51 52 2 1 1 1 1 1 1 1 2 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 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 5 3 6 7 26 3 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 4.5981 5.4641 3.732 2 4.5981 4.5981 5.4641 6.3301 6.3301 5.4641 6.3301 6.3301 3.732 7.1962 2.866 7.1962 8.0622 2.866 8.0622 8.9282 3.732 8.9282 3.732 2 2.866 4.5981 3.9875 4.386 5.8626 5.0656 6.9407 6.5422 6.5422 6.9407 4.8535 5.252 3.1951 6.9407 6.5422 5.7196 6.1181 2.2554 2.654 6.6592 8.0622 8.0622 9.4651 4.269 9.4651 4.269 1.4631 2.866 2.5 -1 1 4 0.5 -0.5 1 0.5 -0.5 -2 -2.5 -3.5 2 -4 2.5 -5 -3.5 3.5 -5.5 -4 4 -5 5 5 5.5 1.12 -0.3923 -1.0826 1.475 1.475 0.3923 1.0826 -1.0826 -0.3923 -1.8923 -2.5826 0.69 -2.6077 -1.9174 -3.3923 -4.0826 2.6077 1.9174 -5.31 -2.88 -6.12 -3.69 3.69 -5.31 5.31 5.31 6.12 8 8 3 8 8 8 8 8 8 8 8 8 8 4 4 5 14 14 16 17 18 19 20 21 23 24 18 24 3 16 17 19 20 21 22 22 23 25 25 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 395 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371E07B20000000000000000000000000000000000000003C588000000000000001C000001E00100000000C28C19E043C8093C81000A8033577540082802031022008D8A13864980860FAC0D591942008609600C8C8071888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(3-phenylpropyl)-3-piperidyl]-2-(2-pyridyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(3-phenylpropyl)-3-piperidinyl]-2-(2-pyridinyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[1-(3-phenylpropyl)piperidin-3-yl]-2-pyridin-2-ylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(3-phenylpropyl)piperidin-3-yl]-2-pyridin-2-ylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(3-phenylpropyl)piperidin-3-yl]-2-pyridin-2-yl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(3-phenylpropyl)-3-piperidyl]-2-(2-pyridyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H27N3O/c25-21(16-19-11-4-5-13-22-19)23-20-12-7-15-24(17-20)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,11,13,20H,6-7,10,12,14-17H2,(H,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GEQACRDMESWCMG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.215412493 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H27N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(CN(C1)CCCC2=CC=CC=C2)NC(=O)CC3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(CN(C1)CCCC2=CC=CC=C2)NC(=O)CC3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 45.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.215412493 25 1 0 1 0 0 0 0 1 -1