lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate — IUPAC name, SMILES, InChIKey & properties

Name: lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate

lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate (PubChem CID 164989082) has the molecular formula C119H176F8LiN15O11 and a molecular weight of 2151.74 g/mol. Its IUPAC name is lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate.

Molecular Properties

Compound Name	lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate
PubChem CID	164989082
Molecular Formula	C119H176F8LiN15O11
Molecular Weight	2151.74 g/mol
Exact Mass	2150.37
IUPAC Name	lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate
SMILES	C.C.C.C.C.C.C.C.C.C.C.C.C.C.Cc1cncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(F)c2)c1.Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2c2cccc(F)c2)c1.Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cccc(F)c2)c1.Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cccc(F)c2)c1.Cc1cncc(NC(=O)C(=O)OCC(F)(F)F)c1.Fc1cccc(C2CCCCN2)c1.[CH2-]CCC.[Li+]
InChI	InChI=1S/4C20H22FN3O2.C11H14FN.C10H9F3N2O3.C4H9.14CH4.Li/c41-13-6-7-18(15-4-3-5-16(21)9-15)24(12-13)20(26)19(25)23-17-8-14(2)10-22-11-17;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-6-2-7(4-14-3-6)15-8(16)9(17)18-5-10(11,12)13;1-3-4-2;;;;;;;;;;;;;;;/h43-5,8-11,13,18H,6-7,12H2,1-2H3,(H,23,25);3-5,8,11,13H,1-2,6-7H2;2-4H,5H2,1H3,(H,15,16);1,3-4H2,2H3;141H4;/q;;;;;;-1;;;;;;;;;;;;;;;+1/t313-,18+;13-,18-;;;;;;;;;;;;;;;;;;/m1101................../s1
InChIKey	MEMHDUIHTGDDAY-KJVVKJSASA-N
XLogP	25.47
TPSA	329.52 Å²
H-Bond Donors	6
H-Bond Acceptors	17
Rotatable Bonds	12
Heavy Atoms	154
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.74
LogP ≤ 5	25.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Analyze lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate?

The IUPAC name of lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate (CID 164989082) is lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate.

What is the SMILES notation for lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate?

The canonical SMILES for lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.Cc1cncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(F)c2)c1.Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2c2cccc(F)c2)c1.Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cccc(F)c2)c1.Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2cccc(F)c2)c1.Cc1cncc(NC(=O)C(=O)OCC(F)(F)F)c1.Fc1cccc(C2CCCCN2)c1.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate?

The InChIKey is MEMHDUIHTGDDAY-KJVVKJSASA-N. The full InChI is InChI=1S/4C20H22FN3O2.C11H14FN.C10H9F3N2O3.C4H9.14CH4.Li/c4*1-13-6-7-18(15-4-3-5-16(21)9-15)24(12-13)20(26)19(25)23-17-8-14(2)10-22-11-17;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-6-2-7(4-14-3-6)15-8(16)9(17)18-5-10(11,12)13;1-3-4-2;;;;;;;;;;;;;;;/h4*3-5,8-11,13,18H,6-7,12H2,1-2H3,(H,23,25);3-5,8,11,13H,1-2,6-7H2;2-4H,5H2,1H3,(H,15,16);1,3-4H2,2H3;14*1H4;/q;;;;;;-1;;;;;;;;;;;;;;;+1/t3*13-,18+;13-,18-;;;;;;;;;;;;;;;;;;/m1101................../s1.

What are the key properties of lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate?

Where does this data come from?

All data for lithium;butane;2-[(2R,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;bis(2-[(2S,5R)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide);2-[(2R,5S)-2-(3-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2-(3-fluorophenyl)piperidine;methane;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate is sourced from PubChem (CID 164989082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).