2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

C17H25BrN4O3 — CID 165431724

IUPAC2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOc1nc(N2CCC(CC(=O)NC3CCOCC3)CC2)ncc1Br
InChIInChI=1S/C17H25BrN4O3/c1-24-16-14(18)11-19-17(21-16)22-6-2-12(3-7-22)10-15(23)20-13-4-8-25-9-5-13/h11-13H,2-10H2,1H3,(H,20,23)
InChIKeyWCSBESNSTGUEJN-UHFFFAOYSA-N
MW413.32 g/mol
LogP2.15
Rot. Bonds5

About 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 165431724) has the molecular formula C17H25BrN4O3 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID165431724
Molecular FormulaC17H25BrN4O3
Molecular Weight413.32 g/mol
Exact Mass412.11
IUPAC Name2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOc1nc(N2CCC(CC(=O)NC3CCOCC3)CC2)ncc1Br
InChIInChI=1S/C17H25BrN4O3/c1-24-16-14(18)11-19-17(21-16)22-6-2-12(3-7-22)10-15(23)20-13-4-8-25-9-5-13/h11-13H,2-10H2,1H3,(H,20,23)
InChIKeyWCSBESNSTGUEJN-UHFFFAOYSA-N
XLogP2.15
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431697
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 172881124
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 106998160
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649555
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690356
1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992933
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103746059

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 165431724) is 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is COc1nc(N2CCC(CC(=O)NC3CCOCC3)CC2)ncc1Br.
What is the InChIKey of 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is WCSBESNSTGUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN4O3/c1-24-16-14(18)11-19-17(21-16)22-6-2-12(3-7-22)10-15(23)20-13-4-8-25-9-5-13/h11-13H,2-10H2,1H3,(H,20,23).
What are the key properties of 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 413.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 165431724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).