tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane

C123H145N17O27 — CID 160557583

About tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane

tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane (PubChem CID 160557583) has the molecular formula C123H145N17O27 and a molecular weight of 2293.60 g/mol. Its IUPAC name is tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane.

Molecular Properties

• Compound Name: tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
• PubChem CID: 160557583
• Molecular Formula: C123H145N17O27
• Molecular Weight: 2293.60 g/mol
• Exact Mass: 2292.05
• IUPAC Name: tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
• SMILES: CC(C)(C)OC(=O)N1CCC(N)C(O)C1.CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(O)C1.CN1CCC2OC2C1.COc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2O)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)NC2CCN(C)CC2O)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)O)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1
• InChI: InChI=1S/C37H40N4O8.C33H34N4O6.C27H22N2O6.C10H18N4O3.C10H20N2O3.C6H11NO/c1-37(2,3)49-36(44)41-14-10-28(30(42)21-41)40-35(43)23-5-7-27(32(18-23)45-4)33-19-29-34(48-33)26(9-13-39-29)22-6-8-31(24(17-22)20-38)47-25-11-15-46-16-12-25;1-37-12-8-26(28(38)19-37)36-33(39)21-3-5-25(30(16-21)40-2)31-17-27-32(43-31)24(7-11-35-27)20-4-6-29(22(15-20)18-34)42-23-9-13-41-14-10-23;1-32-24-13-17(27(30)31)2-4-21(24)25-14-22-26(35-25)20(6-9-29-22)16-3-5-23(18(12-16)15-28)34-19-7-10-33-11-8-19;1-10(2,3)17-9(16)14-5-4-7(12-13-11)8(15)6-14;1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12;1-7-3-2-5-6(4-7)8-5/h5-9,13,17-19,25,28,30,42H,10-12,14-16,21H2,1-4H3,(H,40,43);3-7,11,15-17,23,26,28,38H,8-10,12-14,19H2,1-2H3,(H,36,39);2-6,9,12-14,19H,7-8,10-11H2,1H3,(H,30,31);7-8,15H,4-6H2,1-3H3;7-8,13H,4-6,11H2,1-3H3;5-6H,2-4H2,1H3
• InChIKey: QYWRVFDNUDQRIK-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 591.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.60
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?

The IUPAC name of tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane (CID 160557583) is tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane.

What is the SMILES notation for tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?

The canonical SMILES for tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane is CC(C)(C)OC(=O)N1CCC(N)C(O)C1.CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(O)C1.CN1CCC2OC2C1.COc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2O)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)NC2CCN(C)CC2O)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)O)ccc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.

What is the InChIKey of tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?

The InChIKey is QYWRVFDNUDQRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O8.C33H34N4O6.C27H22N2O6.C10H18N4O3.C10H20N2O3.C6H11NO/c1-37(2,3)49-36(44)41-14-10-28(30(42)21-41)40-35(43)23-5-7-27(32(18-23)45-4)33-19-29-34(48-33)26(9-13-39-29)22-6-8-31(24(17-22)20-38)47-25-11-15-46-16-12-25;1-37-12-8-26(28(38)19-37)36-33(39)21-3-5-25(30(16-21)40-2)31-17-27-32(43-31)24(7-11-35-27)20-4-6-29(22(15-20)18-34)42-23-9-13-41-14-10-23;1-32-24-13-17(27(30)31)2-4-21(24)25-14-22-26(35-25)20(6-9-29-22)16-3-5-23(18(12-16)15-28)34-19-7-10-33-11-8-19;1-10(2,3)17-9(16)14-5-4-7(12-13-11)8(15)6-14;1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12;1-7-3-2-5-6(4-7)8-5/h5-9,13,17-19,25,28,30,42H,10-12,14-16,21H2,1-4H3,(H,40,43);3-7,11,15-17,23,26,28,38H,8-10,12-14,19H2,1-2H3,(H,36,39);2-6,9,12-14,19H,7-8,10-11H2,1H3,(H,30,31);7-8,15H,4-6H2,1-3H3;7-8,13H,4-6,11H2,1-3H3;5-6H,2-4H2,1H3.

What are the key properties of tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?

tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane has a molecular weight of 2293.60 g/mol, XLogP of 17.46, 21 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-azido-3-hydroxypiperidine-1-carboxylate;tert-butyl 4-[[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoyl]amino]-3-hydroxypiperidine-1-carboxylate;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-hydroxy-1-methylpiperidin-4-yl)-3-methoxybenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 160557583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).