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

C89H116ClN14O12W- — CID 159428239

IUPACtert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-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)c2ncccc2C2CC2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2C2CC2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2Cl)C1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3C3CC3)[C@@H]3CCCNC3)cc2)C1=O.[CH3-].[W]
InChIInChI=1S/C30H36N4O5.C25H28N4O3.C18H27N3O2.C15H22ClN3O2.CH3.W/c1-29(2,3)38-28(37)33-17-7-8-22(18-33)34(26-23(19-10-11-19)9-6-16-31-26)27(36)21-14-12-20(13-15-21)24-25(35)30(4,5)39-32-24;1-25(2)22(30)21(28-32-25)17-9-11-18(12-10-17)24(31)29(19-5-3-13-26-15-19)23-20(16-7-8-16)6-4-14-27-23;1-18(2,3)23-17(22)21-11-5-6-14(12-21)20-16-15(13-8-9-13)7-4-10-19-16;1-15(2,3)21-14(20)19-9-5-6-11(10-19)18-13-12(16)7-4-8-17-13;;/h6,9,12-16,19,22H,7-8,10-11,17-18H2,1-5H3;4,6,9-12,14,16,19,26H,3,5,7-8,13,15H2,1-2H3;4,7,10,13-14H,5-6,8-9,11-12H2,1-3H3,(H,19,20);4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18);1H3;/q;;;;-1;/t22-;19-;14-;11-;;/m1111../s1
InChIKeyDTWRRILJTITYII-LQSKJCTDSA-N
MW1793.29 g/mol
LogP16.29
Rot. Bonds15

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

tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten (PubChem CID 159428239) has the molecular formula C89H116ClN14O12W- and a molecular weight of 1793.29 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
PubChem CID159428239
Molecular FormulaC89H116ClN14O12W-
Molecular Weight1793.29 g/mol
Exact Mass1791.81
IUPAC Nametert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-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)c2ncccc2C2CC2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2C2CC2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2Cl)C1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3C3CC3)[C@@H]3CCCNC3)cc2)C1=O.[CH3-].[W]
InChIInChI=1S/C30H36N4O5.C25H28N4O3.C18H27N3O2.C15H22ClN3O2.CH3.W/c1-29(2,3)38-28(37)33-17-7-8-22(18-33)34(26-23(19-10-11-19)9-6-16-31-26)27(36)21-14-12-20(13-15-21)24-25(35)30(4,5)39-32-24;1-25(2)22(30)21(28-32-25)17-9-11-18(12-10-17)24(31)29(19-5-3-13-26-15-19)23-20(16-7-8-16)6-4-14-27-23;1-18(2,3)23-17(22)21-11-5-6-14(12-21)20-16-15(13-8-9-13)7-4-10-19-16;1-15(2,3)21-14(20)19-9-5-6-11(10-19)18-13-12(16)7-4-8-17-13;;/h6,9,12-16,19,22H,7-8,10-11,17-18H2,1-5H3;4,6,9-12,14,16,19,26H,3,5,7-8,13,15H2,1-2H3;4,7,10,13-14H,5-6,8-9,11-12H2,1-3H3,(H,19,20);4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18);1H3;/q;;;;-1;/t22-;19-;14-;11-;;/m1111../s1
InChIKeyDTWRRILJTITYII-LQSKJCTDSA-N
XLogP16.29
TPSA294.21 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001793.29
LogP ≤ 516.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

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

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Launch Full Analysis

Related Compounds

US10513514, Number 1
CID 140933991
US10513514, Number 12
CID 140934055
N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide
CID 140933911
tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 140933918
tert-butyl (3S)-3-[(3-chloro-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 140933943
tert-butyl (3R)-3-[(3-chloro-4-methyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 140933979
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide
CID 140933984
tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylbenzoyl]amino]piperidine-1-carboxylate
CID 140934024
N-(3-chloro-2-pyridinyl)-4-[5-[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-3-methyl-N-piperidin-3-ylbenzamide
CID 146279891
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide
CID 146279903
4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-4-oxo-3-[4-[(3-phenyl-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-piperidin-3-ylbenzamide
CID 146279911
N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide
CID 146279913

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-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The IUPAC name of tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten (CID 159428239) is tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten.
What is the SMILES notation for tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The canonical SMILES for tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-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)c2ncccc2C2CC2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2C2CC2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2Cl)C1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3C3CC3)[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-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The InChIKey is DTWRRILJTITYII-LQSKJCTDSA-N. The full InChI is InChI=1S/C30H36N4O5.C25H28N4O3.C18H27N3O2.C15H22ClN3O2.CH3.W/c1-29(2,3)38-28(37)33-17-7-8-22(18-33)34(26-23(19-10-11-19)9-6-16-31-26)27(36)21-14-12-20(13-15-21)24-25(35)30(4,5)39-32-24;1-25(2)22(30)21(28-32-25)17-9-11-18(12-10-17)24(31)29(19-5-3-13-26-15-19)23-20(16-7-8-16)6-4-14-27-23;1-18(2,3)23-17(22)21-11-5-6-14(12-21)20-16-15(13-8-9-13)7-4-10-19-16;1-15(2,3)21-14(20)19-9-5-6-11(10-19)18-13-12(16)7-4-8-17-13;;/h6,9,12-16,19,22H,7-8,10-11,17-18H2,1-5H3;4,6,9-12,14,16,19,26H,3,5,7-8,13,15H2,1-2H3;4,7,10,13-14H,5-6,8-9,11-12H2,1-3H3,(H,19,20);4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,18);1H3;/q;;;;-1;/t22-;19-;14-;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-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
tert-butyl (3R)-3-[(3-chloro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten has a molecular weight of 1793.29 g/mol, XLogP of 16.29, 15 rotatable bonds, 3 hydrogen bond donors, and 21 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-[(3-cyclopropyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-cyclopropyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten is sourced from PubChem (CID 159428239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).