60250343 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 8 7 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 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 14 14 15 15 16 16 17 18 19 19 19 20 20 20 21 21 22 22 23 24 24 25 18 9 10 11 6 12 35 13 18 41 23 25 7 8 26 9 27 28 10 29 30 31 32 33 34 36 37 38 13 14 15 16 39 17 40 17 42 43 19 20 44 45 21 46 47 22 23 24 48 49 25 50 51 2 1 1 1 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 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 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 6.3301 11.5263 8.9282 7.1962 2 9.7942 9.7942 10.6603 10.6603 11.5263 12.3923 8.9282 8.0622 9.7942 8.0622 9.7942 8.9282 6.3301 5.4641 4.5981 3.732 3.732 2.866 2.866 2 9.2573 9.5822 9.1836 10.2617 11.0588 11.0588 10.2617 11.7383 12.1369 8.3913 12.7023 12.9292 12.0823 10.3312 7.5252 7.1962 10.3312 8.9282 5.8626 5.0656 4.1996 4.9966 4.269 2.866 2.866 1.4631 -2 2 0.5 -0.5 -0.5 1 2 0.5 2.5 1 2.5 -0.5 -1 -1 -2 -2 -2.5 -1 -0.5 -1 -0.5 0.5 -1 1 0.5 1.31 2.5826 1.8923 0.0251 0.0251 2.975 2.975 0.4174 1.1077 0.81 1.9631 2.81 3.0369 -0.69 -2.31 0.12 -2.31 -3.12 -0.0251 -0.0251 -1.475 -1.475 0.81 -1.62 1.62 0.81 8 8 8 8 8 8 8 8 8 8 8 8 5 5 12 12 13 14 15 16 21 21 22 24 23 25 13 14 15 16 17 17 22 23 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 409 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA0000000000000000000000000000000000000003C588000000000000001C000001E00100000000C28C19A043EC093C81000A8023577540082802031022008D8A13874980860F2C0D191942008609400C8C8071889008E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(1-methyl-4-piperidyl)amino]phenyl]-3-(3-pyridyl)propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(1-methyl-4-piperidinyl)amino]phenyl]-3-(3-pyridinyl)propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-pyridin-3-yl-propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[(1-methyl-4-piperidyl)amino]phenyl]-3-(3-pyridyl)propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H26N4O/c1-24-13-10-17(11-14-24)22-18-6-2-3-7-19(18)23-20(25)9-8-16-5-4-12-21-15-16/h2-7,12,15,17,22H,8-11,13-14H2,1H3,(H,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VWJAGKIFPZKSHC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.21066147 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H26N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCC(CC1)NC2=CC=CC=C2NC(=O)CCC3=CN=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCC(CC1)NC2=CC=CC=C2NC(=O)CCC3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.21066147 25 0 0 0 0 0 0 0 1 -1