2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide

C13H18BrN3O — CID 133403773

IUPAC2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
SMILESCc1cc(N2CCCC(CC(N)=O)C2)ncc1Br
InChIInChI=1S/C13H18BrN3O/c1-9-5-13(16-7-11(9)14)17-4-2-3-10(8-17)6-12(15)18/h5,7,10H,2-4,6,8H2,1H3,(H2,15,18)
InChIKeyWPVWEXCCJOPOFZ-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.24
Rot. Bonds3

About 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide

2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide (PubChem CID 133403773) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
PubChem CID133403773
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
SMILESCc1cc(N2CCCC(CC(N)=O)C2)ncc1Br
InChIInChI=1S/C13H18BrN3O/c1-9-5-13(16-7-11(9)14)17-4-2-3-10(8-17)6-12(15)18/h5,7,10H,2-4,6,8H2,1H3,(H2,15,18)
InChIKeyWPVWEXCCJOPOFZ-UHFFFAOYSA-N
XLogP2.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814312
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 114869508
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
[1-(5-amino-4-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79172728
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
6-(3-ethylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 79173430
2-[1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133490381
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide (CID 133403773) is 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide is Cc1cc(N2CCCC(CC(N)=O)C2)ncc1Br.
What is the InChIKey of 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide?
The InChIKey is WPVWEXCCJOPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-5-13(16-7-11(9)14)17-4-2-3-10(8-17)6-12(15)18/h5,7,10H,2-4,6,8H2,1H3,(H2,15,18).
What are the key properties of 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide?
2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide has a molecular weight of 312.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133403773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).