N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide

C16H23BrFN3O — CID 163350293

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C1CCCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C16H23BrFN3O/c1-16(2,3)15(22)20(4)12-6-5-7-21(10-12)14-13(18)8-11(17)9-19-14/h8-9,12H,5-7,10H2,1-4H3
InChIKeyVYWMGISQGAJUSW-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.46
Rot. Bonds2

About N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide

N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide (PubChem CID 163350293) has the molecular formula C16H23BrFN3O and a molecular weight of 372.28 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide
PubChem CID163350293
Molecular FormulaC16H23BrFN3O
Molecular Weight372.28 g/mol
Exact Mass371.10
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C1CCCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C16H23BrFN3O/c1-16(2,3)15(22)20(4)12-6-5-7-21(10-12)14-13(18)8-11(17)9-19-14/h8-9,12H,5-7,10H2,1-4H3
InChIKeyVYWMGISQGAJUSW-UHFFFAOYSA-N
XLogP3.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166601948
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]propanamide
CID 163350178
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155974121
N,2,2-trimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]propanamide
CID 163351190
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649467
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
CID 163351231

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide (CID 163350293) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)C1CCCN(c2ncc(Br)cc2F)C1.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide?
The InChIKey is VYWMGISQGAJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN3O/c1-16(2,3)15(22)20(4)12-6-5-7-21(10-12)14-13(18)8-11(17)9-19-14/h8-9,12H,5-7,10H2,1-4H3.
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide has a molecular weight of 372.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 163350293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).