N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide

C21H26FN3O3S — CID 133373930

IUPACN-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cn1
InChIInChI=1S/C21H26FN3O3S/c1-21(2,3)29(27,28)19-9-8-16(14-23-19)25-12-10-15(11-13-25)24-20(26)17-6-4-5-7-18(17)22/h4-9,14-15H,10-13H2,1-3H3,(H,24,26)
InChIKeyVAUCPZGYWICNQF-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide

N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide (PubChem CID 133373930) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide
PubChem CID133373930
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC NameN-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cn1
InChIInChI=1S/C21H26FN3O3S/c1-21(2,3)29(27,28)19-9-8-16(14-23-19)25-12-10-15(11-13-25)24-20(26)17-6-4-5-7-18(17)22/h4-9,14-15H,10-13H2,1-3H3,(H,24,26)
InChIKeyVAUCPZGYWICNQF-UHFFFAOYSA-N
XLogP3.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-tert-butylsulfonyl-3-pyridinyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 133373545
2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417213
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 133360026
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine
CID 133359969
N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360362
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide (CID 133373930) is N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide is CC(C)(C)S(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cn1.
What is the InChIKey of N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is VAUCPZGYWICNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-21(2,3)29(27,28)19-9-8-16(14-23-19)25-12-10-15(11-13-25)24-20(26)17-6-4-5-7-18(17)22/h4-9,14-15H,10-13H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide?
N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 419.52 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 133373930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).