lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

C20H24FLiN2O2S — CID 160674052

IUPAClithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1.[CH2-]CCC.[Li+]
InChIInChI=1S/C16H15FN2O2S.C4H9.Li/c17-13-3-1-12(2-4-13)16(21)19-8-5-11(6-9-19)14(20)15-18-7-10-22-15;1-3-4-2;/h1-4,7,10-11H,5-6,8-9H2;1,3-4H2,2H3;/q;-1;+1
InChIKeyZWMCXLHOBSJQMC-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.64
Rot. Bonds4

About lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 160674052) has the molecular formula C20H24FLiN2O2S and a molecular weight of 382.43 g/mol. Its IUPAC name is lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Namelithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID160674052
Molecular FormulaC20H24FLiN2O2S
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Namelithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1.[CH2-]CCC.[Li+]
InChIInChI=1S/C16H15FN2O2S.C4H9.Li/c17-13-3-1-12(2-4-13)16(21)19-8-5-11(6-9-19)14(20)15-18-7-10-22-15;1-3-4-2;/h1-4,7,10-11H,5-6,8-9H2;1,3-4H2,2H3;/q;-1;+1
InChIKeyZWMCXLHOBSJQMC-UHFFFAOYSA-N
XLogP1.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797520
2-methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate
CID 56975200
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
1-(4-fluorobenzoyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223956
2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
CID 16670267
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797532
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120

Frequently Asked Questions

What is the IUPAC name of lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (CID 160674052) is lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is ZWMCXLHOBSJQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S.C4H9.Li/c17-13-3-1-12(2-4-13)16(21)19-8-5-11(6-9-19)14(20)15-18-7-10-22-15;1-3-4-2;/h1-4,7,10-11H,5-6,8-9H2;1,3-4H2,2H3;/q;-1;+1.
What are the key properties of lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 382.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;[1-(4-fluorobenzoyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 160674052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).