tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten

C95H113ClN17O12W- — CID 158640921

About tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten

tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten (PubChem CID 158640921) has the molecular formula C95H113ClN17O12W- and a molecular weight of 1904.35 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten
• PubChem CID: 158640921
• Molecular Formula: C95H113ClN17O12W-
• Molecular Weight: 1904.35 g/mol
• Exact Mass: 1902.80
• IUPAC Name: tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)c2ncccc2-c2ccncc2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2-c2ccncc2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2Cl)C1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccncc3)[C@@H]3CCCNC3)cc2)C1=O.[CH3-].[W]
• InChI: InChI=1S/C32H35N5O5.C27H27N5O3.C20H26N4O2.C15H22ClN3O2.CH3.W/c1-31(2,3)41-30(40)36-19-7-8-24(20-36)37(28-25(9-6-16-34-28)21-14-17-33-18-15-21)29(39)23-12-10-22(11-13-23)26-27(38)32(4,5)42-35-26;1-27(2)24(33)23(31-35-27)19-7-9-20(10-8-19)26(34)32(21-5-3-13-29-17-21)25-22(6-4-14-30-25)18-11-15-28-16-12-18;1-20(2,3)26-19(25)24-13-5-6-16(14-24)23-18-17(7-4-10-22-18)15-8-11-21-12-9-15;1-15(2,3)21-14(20)19-9-5-6-11(10-19)18-13-12(16)7-4-8-17-13;;/h6,9-18,24H,7-8,19-20H2,1-5H3;4,6-12,14-16,21,29H,3,5,13,17H2,1-2H3;4,7-12,16H,5-6,13-14H2,1-3H3,(H,22,23);4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18);1H3;/q;;;;-1;/t24-;21-;16-;11-;;/m1111../s1
• InChIKey: WXDWGKSHUNAYFY-FGICKHQWSA-N
• XLogP: 16.85
• TPSA: 332.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.35
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten?

The IUPAC name of tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten (CID 158640921) is tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten.

What is the SMILES notation for tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten?

The canonical SMILES for tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten is CC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)c2ncccc2-c2ccncc2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2-c2ccncc2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2Cl)C1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccncc3)[C@@H]3CCCNC3)cc2)C1=O.[CH3-].[W].

What is the InChIKey of tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten?

The InChIKey is WXDWGKSHUNAYFY-FGICKHQWSA-N. The full InChI is InChI=1S/C32H35N5O5.C27H27N5O3.C20H26N4O2.C15H22ClN3O2.CH3.W/c1-31(2,3)41-30(40)36-19-7-8-24(20-36)37(28-25(9-6-16-34-28)21-14-17-33-18-15-21)29(39)23-12-10-22(11-13-23)26-27(38)32(4,5)42-35-26;1-27(2)24(33)23(31-35-27)19-7-9-20(10-8-19)26(34)32(21-5-3-13-29-17-21)25-22(6-4-14-30-25)18-11-15-28-16-12-18;1-20(2,3)26-19(25)24-13-5-6-16(14-24)23-18-17(7-4-10-22-18)15-8-11-21-12-9-15;1-15(2,3)21-14(20)19-9-5-6-11(10-19)18-13-12(16)7-4-8-17-13;;/h6,9-18,24H,7-8,19-20H2,1-5H3;4,6-12,14-16,21,29H,3,5,13,17H2,1-2H3;4,7-12,16H,5-6,13-14H2,1-3H3,(H,22,23);4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18);1H3;/q;;;;-1;/t24-;21-;16-;11-;;/m1111../s1.

What are the key properties of tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten?

tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten has a molecular weight of 1904.35 g/mol, XLogP of 16.85, 15 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-pyridin-4-yl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-(3-pyridin-4-yl-2-pyridinyl)benzamide;tungsten is sourced from PubChem (CID 158640921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).