tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate

C251H342N28O53 — CID 167553872

IUPACtert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
SMILESCC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.CN(C)CCn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.CN1CCC(n2c(=O)oc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc32)CC1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.Cn1c(=O)oc2c(C3CCN(C(=O)OC(C)(C)C)CC3)cccc21.Cn1c(=O)oc2cc(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)ccc21.Cn1c(=O)oc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(=O)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc21.Cn1c(=O)oc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc21.Cn1c(=O)oc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C23H33N3O4.C23H35N3O4.C20H26N2O4.C20H28N2O4.3C19H26N2O4.C18H22N2O5.5C18H24N2O4/c1-23(2,3)30-21(27)25-13-7-16(8-14-25)17-5-6-19-20(15-17)29-22(28)26(19)18-9-11-24(4)12-10-18;1-22(2,3)30-21(28)26-11-10-17(15-23(26,4)5)16-8-9-18-19(14-16)29-20(27)25(18)13-12-24(6)7;1-20(2,3)26-19(24)22-14-6-7-15(22)10-13(9-14)12-5-8-16-17(11-12)25-18(23)21(16)4;1-19(2,3)26-18(24)22-10-9-14(12-20(22,4)5)13-7-8-15-16(11-13)25-17(23)21(15)6;3*1-12-10-14(8-9-21(12)18(23)25-19(2,3)4)13-6-7-15-16(11-13)24-17(22)20(15)5;1-18(2,3)25-17(23)20-8-7-12(10-15(20)21)11-5-6-13-14(9-11)24-16(22)19(13)4;1-18(2,3)24-17(22)20-9-7-12(8-10-20)13-5-6-15-14(11-13)19(4)16(21)23-15;1-18(2,3)24-17(22)20-9-7-12(8-10-20)13-5-6-14-15(11-13)23-16(21)19(14)4;1-18(2,3)24-17(22)20-9-5-6-13(11-20)12-7-8-14-15(10-12)23-16(21)19(14)4;1-18(2,3)24-17(22)20-10-8-12(9-11-20)13-6-5-7-14-15(13)19(4)16(21)23-14;1-18(2,3)24-17(22)20-10-8-12(9-11-20)13-6-5-7-14-15(13)23-16(21)19(14)4/h5-6,15-16,18H,7-14H2,1-4H3;8-9,14,17H,10-13,15H2,1-7H3;5,8,11,13-15H,6-7,9-10H2,1-4H3;7-8,11,14H,9-10,12H2,1-6H3;3*6-7,11-12,14H,8-10H2,1-5H3;5-6,9,12H,7-8,10H2,1-4H3;2*5-6,11-12H,7-10H2,1-4H3;7-8,10,13H,5-6,9,11H2,1-4H3;2*5-7,12H,8-11H2,1-4H3/t;;;;2*12-,14?;;;;;;;/m....10......./s1
InChIKeyCTFOOWBHJXNNBU-JKIFIEGTSA-N
MW4599.64 g/mol
LogP45.73
Rot. Bonds17

About tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate

tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate (PubChem CID 167553872) has the molecular formula C251H342N28O53 and a molecular weight of 4599.64 g/mol. Its IUPAC name is tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
PubChem CID167553872
Molecular FormulaC251H342N28O53
Molecular Weight4599.64 g/mol
Exact Mass4596.49
IUPAC Nametert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
SMILESCC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.CN(C)CCn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.CN1CCC(n2c(=O)oc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc32)CC1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.Cn1c(=O)oc2c(C3CCN(C(=O)OC(C)(C)C)CC3)cccc21.Cn1c(=O)oc2cc(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)ccc21.Cn1c(=O)oc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(=O)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc21.Cn1c(=O)oc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc21.Cn1c(=O)oc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C23H33N3O4.C23H35N3O4.C20H26N2O4.C20H28N2O4.3C19H26N2O4.C18H22N2O5.5C18H24N2O4/c1-23(2,3)30-21(27)25-13-7-16(8-14-25)17-5-6-19-20(15-17)29-22(28)26(19)18-9-11-24(4)12-10-18;1-22(2,3)30-21(28)26-11-10-17(15-23(26,4)5)16-8-9-18-19(14-16)29-20(27)25(18)13-12-24(6)7;1-20(2,3)26-19(24)22-14-6-7-15(22)10-13(9-14)12-5-8-16-17(11-12)25-18(23)21(16)4;1-19(2,3)26-18(24)22-10-9-14(12-20(22,4)5)13-7-8-15-16(11-13)25-17(23)21(15)6;3*1-12-10-14(8-9-21(12)18(23)25-19(2,3)4)13-6-7-15-16(11-13)24-17(22)20(15)5;1-18(2,3)25-17(23)20-8-7-12(10-15(20)21)11-5-6-13-14(9-11)24-16(22)19(13)4;1-18(2,3)24-17(22)20-9-7-12(8-10-20)13-5-6-15-14(11-13)19(4)16(21)23-15;1-18(2,3)24-17(22)20-9-7-12(8-10-20)13-5-6-14-15(11-13)23-16(21)19(14)4;1-18(2,3)24-17(22)20-9-5-6-13(11-20)12-7-8-14-15(10-12)23-16(21)19(14)4;1-18(2,3)24-17(22)20-10-8-12(9-11-20)13-6-5-7-14-15(13)19(4)16(21)23-14;1-18(2,3)24-17(22)20-10-8-12(9-11-20)13-6-5-7-14-15(13)23-16(21)19(14)4/h5-6,15-16,18H,7-14H2,1-4H3;8-9,14,17H,10-13,15H2,1-7H3;5,8,11,13-15H,6-7,9-10H2,1-4H3;7-8,11,14H,9-10,12H2,1-6H3;3*6-7,11-12,14H,8-10H2,1-5H3;5-6,9,12H,7-8,10H2,1-4H3;2*5-6,11-12H,7-10H2,1-4H3;7-8,10,13H,5-6,9,11H2,1-4H3;2*5-7,12H,8-11H2,1-4H3/t;;;;2*12-,14?;;;;;;;/m....10......./s1
InChIKeyCTFOOWBHJXNNBU-JKIFIEGTSA-N
XLogP45.73
TPSA864.39 Ų
H-Bond Donors
H-Bond Acceptors68
Rotatable Bonds17
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004599.64
LogP ≤ 545.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1068

Analyze tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate (CID 167553872) is tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate is CC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.CN(C)CCn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.CN1CCC(n2c(=O)oc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc32)CC1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.Cn1c(=O)oc2c(C3CCN(C(=O)OC(C)(C)C)CC3)cccc21.Cn1c(=O)oc2cc(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)ccc21.Cn1c(=O)oc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(=O)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc21.Cn1c(=O)oc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc21.Cn1c(=O)oc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c21.
What is the InChIKey of tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate?
The InChIKey is CTFOOWBHJXNNBU-JKIFIEGTSA-N. The full InChI is InChI=1S/C23H33N3O4.C23H35N3O4.C20H26N2O4.C20H28N2O4.3C19H26N2O4.C18H22N2O5.5C18H24N2O4/c1-23(2,3)30-21(27)25-13-7-16(8-14-25)17-5-6-19-20(15-17)29-22(28)26(19)18-9-11-24(4)12-10-18;1-22(2,3)30-21(28)26-11-10-17(15-23(26,4)5)16-8-9-18-19(14-16)29-20(27)25(18)13-12-24(6)7;1-20(2,3)26-19(24)22-14-6-7-15(22)10-13(9-14)12-5-8-16-17(11-12)25-18(23)21(16)4;1-19(2,3)26-18(24)22-10-9-14(12-20(22,4)5)13-7-8-15-16(11-13)25-17(23)21(15)6;3*1-12-10-14(8-9-21(12)18(23)25-19(2,3)4)13-6-7-15-16(11-13)24-17(22)20(15)5;1-18(2,3)25-17(23)20-8-7-12(10-15(20)21)11-5-6-13-14(9-11)24-16(22)19(13)4;1-18(2,3)24-17(22)20-9-7-12(8-10-20)13-5-6-15-14(11-13)19(4)16(21)23-15;1-18(2,3)24-17(22)20-9-7-12(8-10-20)13-5-6-14-15(11-13)23-16(21)19(14)4;1-18(2,3)24-17(22)20-9-5-6-13(11-20)12-7-8-14-15(10-12)23-16(21)19(14)4;1-18(2,3)24-17(22)20-10-8-12(9-11-20)13-6-5-7-14-15(13)19(4)16(21)23-14;1-18(2,3)24-17(22)20-10-8-12(9-11-20)13-6-5-7-14-15(13)23-16(21)19(14)4/h5-6,15-16,18H,7-14H2,1-4H3;8-9,14,17H,10-13,15H2,1-7H3;5,8,11,13-15H,6-7,9-10H2,1-4H3;7-8,11,14H,9-10,12H2,1-6H3;3*6-7,11-12,14H,8-10H2,1-5H3;5-6,9,12H,7-8,10H2,1-4H3;2*5-6,11-12H,7-10H2,1-4H3;7-8,10,13H,5-6,9,11H2,1-4H3;2*5-7,12H,8-11H2,1-4H3/t;;;;2*12-,14?;;;;;;;/m....10......./s1.
What are the key properties of tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate has a molecular weight of 4599.64 g/mol, XLogP of 45.73, 17 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 167553872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).