1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone

C15H22BrN3O — CID 133404189

IUPAC1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCNc2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C15H22BrN3O/c1-11-9-15(18-10-14(11)16)17-6-3-13-4-7-19(8-5-13)12(2)20/h9-10,13H,3-8H2,1-2H3,(H,17,18)
InChIKeyORAOBHVGUUMCEF-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.21
Rot. Bonds4

About 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone (PubChem CID 133404189) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone
PubChem CID133404189
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCNc2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C15H22BrN3O/c1-11-9-15(18-10-14(11)16)17-6-3-13-4-7-19(8-5-13)12(2)20/h9-10,13H,3-8H2,1-2H3,(H,17,18)
InChIKeyORAOBHVGUUMCEF-UHFFFAOYSA-N
XLogP3.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 113340028
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone
CID 71921393
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113340036
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 115773852
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone (CID 133404189) is 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCNc2cc(C)c(Br)cn2)CC1.
What is the InChIKey of 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone?
The InChIKey is ORAOBHVGUUMCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11-9-15(18-10-14(11)16)17-6-3-13-4-7-19(8-5-13)12(2)20/h9-10,13H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone has a molecular weight of 340.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 133404189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).