lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide

C111H135F3LiN11O17 — CID 158392229

IUPAClithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide
SMILESC.CC(=O)c1ccc(C(=O)O)nc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(C)=O)cn3)CC2)cc1.COc1ccc(CN2CCC(N)CC2)cc1.O=C(c1ccc(F)cc1)C1CCNCC1.[2H]CF.[Li+].[OH-]
InChIInChI=1S/C33H36FN3O4.C22H26N2O3.C21H24N2O4.C13H20N2O.C12H14FNO.C8H7NO3.CH3F.CH4.Li.H2O/c1-41-29-9-2-24(3-10-29)22-36-16-12-23(13-17-36)20-31(38)30-11-6-27(21-35-30)33(40)37-18-14-26(15-19-37)32(39)25-4-7-28(34)8-5-25;1-16(25)19-5-8-21(23-14-19)22(26)13-17-9-11-24(12-10-17)15-18-3-6-20(27-2)7-4-18;1-27-18-5-2-16(3-6-18)14-23-10-8-15(9-11-23)12-20(24)19-7-4-17(13-22-19)21(25)26;1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15;13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;1-5(10)6-2-3-7(8(11)12)9-4-6;1-2;;;/h2-11,21,23,26H,12-20,22H2,1H3;3-8,14,17H,9-13,15H2,1-2H3;2-7,13,15H,8-12,14H2,1H3,(H,25,26);2-5,12H,6-10,14H2,1H3;1-4,10,14H,5-8H2;2-4H,1H3,(H,11,12);1H3;1H4;;1H2/q;;;;;;;;+1;/p-1/i;;;;;;1D;;;
InChIKeyGXCIQUMQJHEVDV-WPEJIVRLSA-M
MW1960.30 g/mol
LogP15.16
Rot. Bonds30

About lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide

lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide (PubChem CID 158392229) has the molecular formula C111H135F3LiN11O17 and a molecular weight of 1960.30 g/mol. Its IUPAC name is lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide.

Molecular Properties

Compound Namelithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide
PubChem CID158392229
Molecular FormulaC111H135F3LiN11O17
Molecular Weight1960.30 g/mol
Exact Mass1959.02
IUPAC Namelithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide
SMILESC.CC(=O)c1ccc(C(=O)O)nc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(C)=O)cn3)CC2)cc1.COc1ccc(CN2CCC(N)CC2)cc1.O=C(c1ccc(F)cc1)C1CCNCC1.[2H]CF.[Li+].[OH-]
InChIInChI=1S/C33H36FN3O4.C22H26N2O3.C21H24N2O4.C13H20N2O.C12H14FNO.C8H7NO3.CH3F.CH4.Li.H2O/c1-41-29-9-2-24(3-10-29)22-36-16-12-23(13-17-36)20-31(38)30-11-6-27(21-35-30)33(40)37-18-14-26(15-19-37)32(39)25-4-7-28(34)8-5-25;1-16(25)19-5-8-21(23-14-19)22(26)13-17-9-11-24(12-10-17)15-18-3-6-20(27-2)7-4-18;1-27-18-5-2-16(3-6-18)14-23-10-8-15(9-11-23)12-20(24)19-7-4-17(13-22-19)21(25)26;1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15;13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;1-5(10)6-2-3-7(8(11)12)9-4-6;1-2;;;/h2-11,21,23,26H,12-20,22H2,1H3;3-8,14,17H,9-13,15H2,1-2H3;2-7,13,15H,8-12,14H2,1H3,(H,25,26);2-5,12H,6-10,14H2,1H3;1-4,10,14H,5-8H2;2-4H,1H3,(H,11,12);1H3;1H4;;1H2/q;;;;;;;;+1;/p-1/i;;;;;;1D;;;
InChIKeyGXCIQUMQJHEVDV-WPEJIVRLSA-M
XLogP15.16
TPSA383.89 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.30
LogP ≤ 515.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide with MolForge

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Related Compounds

N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
5-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710337
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710486
N-(1-(4-fluorobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710494
5-(4-(3,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710605
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710633
N-((cis)-3-fluoro-1-(4-(trifluoromethoxy)benzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710689
5-(4-(4-fluorobenzoyl)piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl)piperidin-4-yl)picolinamide
CID 66710693
6-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710714
N-((trans)-3-fluoro-1-(4-(trifluoromethoxy)benzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710760
N-((trans)-3-fluoro-1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 68084307

Frequently Asked Questions

What is the IUPAC name of lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide?
The IUPAC name of lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide (CID 158392229) is lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide.
What is the SMILES notation for lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide?
The canonical SMILES for lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide is C.CC(=O)c1ccc(C(=O)O)nc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(C)=O)cn3)CC2)cc1.COc1ccc(CN2CCC(N)CC2)cc1.O=C(c1ccc(F)cc1)C1CCNCC1.[2H]CF.[Li+].[OH-].
What is the InChIKey of lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide?
The InChIKey is GXCIQUMQJHEVDV-WPEJIVRLSA-M. The full InChI is InChI=1S/C33H36FN3O4.C22H26N2O3.C21H24N2O4.C13H20N2O.C12H14FNO.C8H7NO3.CH3F.CH4.Li.H2O/c1-41-29-9-2-24(3-10-29)22-36-16-12-23(13-17-36)20-31(38)30-11-6-27(21-35-30)33(40)37-18-14-26(15-19-37)32(39)25-4-7-28(34)8-5-25;1-16(25)19-5-8-21(23-14-19)22(26)13-17-9-11-24(12-10-17)15-18-3-6-20(27-2)7-4-18;1-27-18-5-2-16(3-6-18)14-23-10-8-15(9-11-23)12-20(24)19-7-4-17(13-22-19)21(25)26;1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15;13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;1-5(10)6-2-3-7(8(11)12)9-4-6;1-2;;;/h2-11,21,23,26H,12-20,22H2,1H3;3-8,14,17H,9-13,15H2,1-2H3;2-7,13,15H,8-12,14H2,1H3,(H,25,26);2-5,12H,6-10,14H2,1H3;1-4,10,14H,5-8H2;2-4H,1H3,(H,11,12);1H3;1H4;;1H2/q;;;;;;;;+1;/p-1/i;;;;;;1D;;;.
What are the key properties of lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide?
lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide has a molecular weight of 1960.30 g/mol, XLogP of 15.16, 30 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;methane;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide is sourced from PubChem (CID 158392229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).