tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine

C118H161ClN20O21 — CID 158164153

IUPACtert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine
SMILESC.C.C.C.C.C.CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.c1ccc(COc2ccc(-c3nc4nc(OC5CCNCC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C29H32N4O4.C24H24N4O2.C15H22N4O5.C15H24N4O3.C14H12O2.C10H19NO3.C5H4ClN3O2.6CH4/c1-29(2,3)37-28(34)33-17-15-23(16-18-33)36-25-14-13-24-27(31-25)32-26(30-24)21-9-11-22(12-10-21)35-19-20-7-5-4-6-8-20;1-2-4-17(5-3-1)16-29-19-8-6-18(7-9-19)23-26-21-10-11-22(27-24(21)28-23)30-20-12-14-25-15-13-20;1-15(2,3)24-14(20)18-8-6-10(7-9-18)23-12-5-4-11(19(21)22)13(16)17-12;1-15(2,3)22-14(20)19-8-6-10(7-9-19)21-12-5-4-11(16)13(17)18-12;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-4-2-1-3(9(10)11)5(7)8-4;;;;;;/h4-14,23H,15-19H2,1-3H3,(H,30,31,32);1-11,20,25H,12-16H2,(H,26,27,28);4-5,10H,6-9H2,1-3H3,(H2,16,17);4-5,10H,6-9,16H2,1-3H3,(H2,17,18);1-10H,11H2;8,12H,4-7H2,1-3H3;1-2H,(H2,7,8);6*1H4
InChIKeyFWQFVIODEZUXMU-UHFFFAOYSA-N
MW2231.16 g/mol
LogP24.19
Rot. Bonds22

About tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine

tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine (PubChem CID 158164153) has the molecular formula C118H161ClN20O21 and a molecular weight of 2231.16 g/mol. Its IUPAC name is tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Nametert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine
PubChem CID158164153
Molecular FormulaC118H161ClN20O21
Molecular Weight2231.16 g/mol
Exact Mass2229.18
IUPAC Nametert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine
SMILESC.C.C.C.C.C.CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.c1ccc(COc2ccc(-c3nc4nc(OC5CCNCC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C29H32N4O4.C24H24N4O2.C15H22N4O5.C15H24N4O3.C14H12O2.C10H19NO3.C5H4ClN3O2.6CH4/c1-29(2,3)37-28(34)33-17-15-23(16-18-33)36-25-14-13-24-27(31-25)32-26(30-24)21-9-11-22(12-10-21)35-19-20-7-5-4-6-8-20;1-2-4-17(5-3-1)16-29-19-8-6-18(7-9-19)23-26-21-10-11-22(27-24(21)28-23)30-20-12-14-25-15-13-20;1-15(2,3)24-14(20)18-8-6-10(7-9-18)23-12-5-4-11(19(21)22)13(16)17-12;1-15(2,3)22-14(20)19-8-6-10(7-9-19)21-12-5-4-11(16)13(17)18-12;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-4-2-1-3(9(10)11)5(7)8-4;;;;;;/h4-14,23H,15-19H2,1-3H3,(H,30,31,32);1-11,20,25H,12-16H2,(H,26,27,28);4-5,10H,6-9H2,1-3H3,(H2,16,17);4-5,10H,6-9,16H2,1-3H3,(H2,17,18);1-10H,11H2;8,12H,4-7H2,1-3H3;1-2H,(H2,7,8);6*1H4
InChIKeyFWQFVIODEZUXMU-UHFFFAOYSA-N
XLogP24.19
TPSA544.27 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002231.16
LogP ≤ 524.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine (CID 158164153) is tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine is C.C.C.C.C.C.CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.c1ccc(COc2ccc(-c3nc4nc(OC5CCNCC5)ccc4[nH]3)cc2)cc1.
What is the InChIKey of tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is FWQFVIODEZUXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4.C24H24N4O2.C15H22N4O5.C15H24N4O3.C14H12O2.C10H19NO3.C5H4ClN3O2.6CH4/c1-29(2,3)37-28(34)33-17-15-23(16-18-33)36-25-14-13-24-27(31-25)32-26(30-24)21-9-11-22(12-10-21)35-19-20-7-5-4-6-8-20;1-2-4-17(5-3-1)16-29-19-8-6-18(7-9-19)23-26-21-10-11-22(27-24(21)28-23)30-20-12-14-25-15-13-20;1-15(2,3)24-14(20)18-8-6-10(7-9-18)23-12-5-4-11(19(21)22)13(16)17-12;1-15(2,3)22-14(20)19-8-6-10(7-9-19)21-12-5-4-11(16)13(17)18-12;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-4-2-1-3(9(10)11)5(7)8-4;;;;;;/h4-14,23H,15-19H2,1-3H3,(H,30,31,32);1-11,20,25H,12-16H2,(H,26,27,28);4-5,10H,6-9H2,1-3H3,(H2,16,17);4-5,10H,6-9,16H2,1-3H3,(H2,17,18);1-10H,11H2;8,12H,4-7H2,1-3H3;1-2H,(H2,7,8);6*1H4.
What are the key properties of tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine?
tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 2231.16 g/mol, XLogP of 24.19, 22 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-amino-5-nitro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-[(5,6-diamino-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]piperidine-1-carboxylate;6-chloro-3-nitropyridin-2-amine;methane;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-piperidin-4-yloxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 158164153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).