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

C75H99F3N13O12W- — CID 158864758

IUPACtert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)c2ncccc2F)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2F)C1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3F)[C@@H]3CCCNC3)cc2)C1=O.[CH3-].[W]
InChIInChI=1S/C27H31FN4O5.C22H23FN4O3.C15H22FN3O2.C10H20N2O2.CH3.W/c1-26(2,3)36-25(35)31-15-7-8-19(16-31)32(23-20(28)9-6-14-29-23)24(34)18-12-10-17(11-13-18)21-22(33)27(4,5)37-30-21;1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20;1-15(2,3)21-14(20)19-9-5-6-11(10-19)18-13-12(16)7-4-8-17-13;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;;/h6,9-14,19H,7-8,15-16H2,1-5H3;4,6-10,12,16,24H,3,5,11,13H2,1-2H3;4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18);8H,4-7,11H2,1-3H3;1H3;/q;;;;-1;/t19-;16-;11-;8-;;/m1111../s1
InChIKeyRLHUDKZFAFLSFB-IRONWELFSA-N
MW1615.53 g/mol
LogP11.87
Rot. Bonds10

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

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten (PubChem CID 158864758) has the molecular formula C75H99F3N13O12W- and a molecular weight of 1615.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
PubChem CID158864758
Molecular FormulaC75H99F3N13O12W-
Molecular Weight1615.53 g/mol
Exact Mass1614.70
IUPAC Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)c2ncccc2F)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2F)C1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3F)[C@@H]3CCCNC3)cc2)C1=O.[CH3-].[W]
InChIInChI=1S/C27H31FN4O5.C22H23FN4O3.C15H22FN3O2.C10H20N2O2.CH3.W/c1-26(2,3)36-25(35)31-15-7-8-19(16-31)32(23-20(28)9-6-14-29-23)24(34)18-12-10-17(11-13-18)21-22(33)27(4,5)37-30-21;1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20;1-15(2,3)21-14(20)19-9-5-6-11(10-19)18-13-12(16)7-4-8-17-13;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;;/h6,9-14,19H,7-8,15-16H2,1-5H3;4,6-10,12,16,24H,3,5,11,13H2,1-2H3;4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18);8H,4-7,11H2,1-3H3;1H3;/q;;;;-1;/t19-;16-;11-;8-;;/m1111../s1
InChIKeyRLHUDKZFAFLSFB-IRONWELFSA-N
XLogP11.87
TPSA295.31 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.53
LogP ≤ 511.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

US10513514, Number 11
CID 140933916
US10513514, Number 7
CID 140933986
US10513514, Number 19
CID 140934029
Pcsk9-IN-31
CID 140933893
US10513514, Number 23
CID 140933898
US10513514, Number 29
CID 140933926
US10513514, Number 34
CID 140933967
US10513514, Number 30
CID 140934015
US10513514, Number 6
CID 140934019
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933923
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933960
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(5-fluoro-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933982

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten (CID 158864758) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten.
What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten is CC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)c2ncccc2F)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2F)C1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3F)[C@@H]3CCCNC3)cc2)C1=O.[CH3-].[W].
What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The InChIKey is RLHUDKZFAFLSFB-IRONWELFSA-N. The full InChI is InChI=1S/C27H31FN4O5.C22H23FN4O3.C15H22FN3O2.C10H20N2O2.CH3.W/c1-26(2,3)36-25(35)31-15-7-8-19(16-31)32(23-20(28)9-6-14-29-23)24(34)18-12-10-17(11-13-18)21-22(33)27(4,5)37-30-21;1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20;1-15(2,3)21-14(20)19-9-5-6-11(10-19)18-13-12(16)7-4-8-17-13;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;;/h6,9-14,19H,7-8,15-16H2,1-5H3;4,6-10,12,16,24H,3,5,11,13H2,1-2H3;4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18);8H,4-7,11H2,1-3H3;1H3;/q;;;;-1;/t19-;16-;11-;8-;;/m1111../s1.
What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten has a molecular weight of 1615.53 g/mol, XLogP of 11.87, 10 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten is sourced from PubChem (CID 158864758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).