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

C54H67N8O8W- — CID 158416197

IUPACtert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
SMILESCc1cc(C(=O)N(c2ncccc2C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C(=O)N(c2ncccc2C)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.[CH3-].[W]
InChIInChI=1S/C29H36N4O5.C24H28N4O3.CH3.W/c1-18-10-8-14-30-25(18)33(21-11-9-15-32(17-21)27(36)37-28(3,4)5)26(35)20-12-13-22(19(2)16-20)23-24(34)29(6,7)38-31-23;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)17-9-10-19(16(2)13-17)20-21(29)24(3,4)31-27-20;;/h8,10,12-14,16,21H,9,11,15,17H2,1-7H3;5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3;1H3;/q;;-1;/t21-;18-;;/m11../s1
InChIKeyGQFKBCUVYZOSGI-MOMUAKDNSA-N
MW1140.02 g/mol
LogP8.45
Rot. Bonds8

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

tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten (PubChem CID 158416197) has the molecular formula C54H67N8O8W- and a molecular weight of 1140.02 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
PubChem CID158416197
Molecular FormulaC54H67N8O8W-
Molecular Weight1140.02 g/mol
Exact Mass1139.46
IUPAC Nametert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
SMILESCc1cc(C(=O)N(c2ncccc2C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C(=O)N(c2ncccc2C)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.[CH3-].[W]
InChIInChI=1S/C29H36N4O5.C24H28N4O3.CH3.W/c1-18-10-8-14-30-25(18)33(21-11-9-15-32(17-21)27(36)37-28(3,4)5)26(35)20-12-13-22(19(2)16-20)23-24(34)29(6,7)38-31-23;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)17-9-10-19(16(2)13-17)20-21(29)24(3,4)31-27-20;;/h8,10,12-14,16,21H,9,11,15,17H2,1-7H3;5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3;1H3;/q;;-1;/t21-;18-;;/m11../s1
InChIKeyGQFKBCUVYZOSGI-MOMUAKDNSA-N
XLogP8.45
TPSA185.29 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001140.02
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The IUPAC name of tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten (CID 158416197) is tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten.
What is the SMILES notation for tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The canonical SMILES for tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten is Cc1cc(C(=O)N(c2ncccc2C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C(=O)N(c2ncccc2C)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.[CH3-].[W].
What is the InChIKey of tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
The InChIKey is GQFKBCUVYZOSGI-MOMUAKDNSA-N. The full InChI is InChI=1S/C29H36N4O5.C24H28N4O3.CH3.W/c1-18-10-8-14-30-25(18)33(21-11-9-15-32(17-21)27(36)37-28(3,4)5)26(35)20-12-13-22(19(2)16-20)23-24(34)29(6,7)38-31-23;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)17-9-10-19(16(2)13-17)20-21(29)24(3,4)31-27-20;;/h8,10,12-14,16,21H,9,11,15,17H2,1-7H3;5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3;1H3;/q;;-1;/t21-;18-;;/m11../s1.
What are the key properties of tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten has a molecular weight of 1140.02 g/mol, XLogP of 8.45, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methylbenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten is sourced from PubChem (CID 158416197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).