N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide

C12H15BrFN3O — CID 146241785

IUPACN-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2ccc(Br)cn2)C[C@@H]1F
InChIInChI=1S/C12H15BrFN3O/c1-8(18)16-11-4-5-17(7-10(11)14)12-3-2-9(13)6-15-12/h2-3,6,10-11H,4-5,7H2,1H3,(H,16,18)/t10-,11+/m0/s1
InChIKeyWDSADKAFJYPVDB-WDEREUQCSA-N
MW316.17 g/mol
LogP1.90
Rot. Bonds2

About N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide

N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide (PubChem CID 146241785) has the molecular formula C12H15BrFN3O and a molecular weight of 316.17 g/mol. Its IUPAC name is N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide
PubChem CID146241785
Molecular FormulaC12H15BrFN3O
Molecular Weight316.17 g/mol
Exact Mass315.04
IUPAC NameN-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2ccc(Br)cn2)C[C@@H]1F
InChIInChI=1S/C12H15BrFN3O/c1-8(18)16-11-4-5-17(7-10(11)14)12-3-2-9(13)6-15-12/h2-3,6,10-11H,4-5,7H2,1H3,(H,16,18)/t10-,11+/m0/s1
InChIKeyWDSADKAFJYPVDB-WDEREUQCSA-N
XLogP1.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 66673305
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 140574461
N-[(3R,4S)-3-fluoro-1-[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 158162102
(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
CID 66674145
N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
1-(5-bromo-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992718
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79098403
methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
CID 133444478
N-[3-fluoro-1-[6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557424

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide (CID 146241785) is N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide is CC(=O)N[C@@H]1CCN(c2ccc(Br)cn2)C[C@@H]1F.
What is the InChIKey of N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide?
The InChIKey is WDSADKAFJYPVDB-WDEREUQCSA-N. The full InChI is InChI=1S/C12H15BrFN3O/c1-8(18)16-11-4-5-17(7-10(11)14)12-3-2-9(13)6-15-12/h2-3,6,10-11H,4-5,7H2,1H3,(H,16,18)/t10-,11+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide?
N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide has a molecular weight of 316.17 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide is sourced from PubChem (CID 146241785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).