About tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 159264396) has the molecular formula C142H194N32O31S
and a molecular weight of 2877.37 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one (CID 159264396) is tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one is CC(C)(C)OC(=O)N1CCC(C(=O)CN)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)CNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)CC1.CN1CCC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4O)o2)CC1.CN1CCC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)o2)CC1.CN1CCC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)o2)CC1.O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(C3CCCCC3)o2)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(C3CCNCC3)o2)N1OCc1ccccc1.
What is the InChIKey of tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is KWXMCZTWRQNEDL-UPHIBTOPSA-N. The full InChI is InChI=1S/C26H36N4O6.C21H27N5O3.C21H26N4O3.C20H25N5O3.C14H21N5O6S.C14H21N5O3.C14H16N2O4.C12H22N2O3/c1-26(2,3)36-25(34)28-13-11-19(12-14-28)22(31)15-27-23(32)21-10-9-20-16-29(21)24(33)30(20)35-17-18-7-5-4-6-8-18;1-24-11-9-16(10-12-24)19-22-23-20(29-19)18-8-7-17-13-25(18)21(27)26(17)28-14-15-5-3-2-4-6-15;26-21-24-13-17(25(21)27-14-15-7-3-1-4-8-15)11-12-18(24)20-23-22-19(28-20)16-9-5-2-6-10-16;26-20-24-12-16(25(20)27-13-14-4-2-1-3-5-14)6-7-17(24)19-23-22-18(28-19)15-8-10-21-11-9-15;1-17-6-4-9(5-7-17)12-15-16-13(24-12)11-3-2-10-8-18(11)14(20)19(10)25-26(21,22)23;1-17-6-4-9(5-7-17)12-15-16-13(22-12)11-3-2-10-8-18(11)14(20)19(10)21;17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10;1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(15)8-13/h4-8,19-21H,9-17H2,1-3H3,(H,27,32);2-6,16-18H,7-14H2,1H3;1,3-4,7-8,16-18H,2,5-6,9-14H2;1-5,15-17,21H,6-13H2;9-11H,2-8H2,1H3,(H,21,22,23);9-11,21H,2-8H2,1H3;1-5,11-12H,6-9H2,(H,17,18);9H,4-8,13H2,1-3H3/t20-,21+;2*17-,18+;16-,17+;2*10-,11+;11-,12+;/m1111111./s1.
What are the key properties of tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 2877.37 g/mol, XLogP of 16.87, 34 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoacetyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]acetyl]piperidine-1-carboxylate;(2S,5R)-2-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-6-hydroxy-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;(2S,5R)-6-phenylmethoxy-2-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 159264396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).