N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide

C13H18BrN3O — CID 133359713

IUPACN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ncc(Br)cc2C)C1
InChIInChI=1S/C13H18BrN3O/c1-9-6-11(14)7-15-13(9)17-5-3-4-12(8-17)16-10(2)18/h6-7,12H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyKOEXUEWNTLRZDX-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.26
Rot. Bonds2

About N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide

N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide (PubChem CID 133359713) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
PubChem CID133359713
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ncc(Br)cc2C)C1
InChIInChI=1S/C13H18BrN3O/c1-9-6-11(14)7-15-13(9)17-5-3-4-12(8-17)16-10(2)18/h6-7,12H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyKOEXUEWNTLRZDX-UHFFFAOYSA-N
XLogP2.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide
CID 84586788
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]acetamide
CID 133489997
2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide
CID 133354655
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide (CID 133359713) is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2ncc(Br)cc2C)C1.
What is the InChIKey of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide?
The InChIKey is KOEXUEWNTLRZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-6-11(14)7-15-13(9)17-5-3-4-12(8-17)16-10(2)18/h6-7,12H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide?
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide has a molecular weight of 312.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133359713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).