[4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate

C11H15BrN4O2 — CID 174798422

IUPAC[4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate
SMILESCC(=O)ON1CCC(c2cnc(N)c(Br)n2)CC1
InChIInChI=1S/C11H15BrN4O2/c1-7(17)18-16-4-2-8(3-5-16)9-6-14-11(13)10(12)15-9/h6,8H,2-5H2,1H3,(H2,13,14)
InChIKeyCPSCDXGYDWPROB-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.48
Rot. Bonds2

About [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate

[4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate (PubChem CID 174798422) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate.

Molecular Properties

Compound Name[4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate
PubChem CID174798422
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name[4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate
SMILESCC(=O)ON1CCC(c2cnc(N)c(Br)n2)CC1
InChIInChI=1S/C11H15BrN4O2/c1-7(17)18-16-4-2-8(3-5-16)9-6-14-11(13)10(12)15-9/h6,8H,2-5H2,1H3,(H2,13,14)
InChIKeyCPSCDXGYDWPROB-UHFFFAOYSA-N
XLogP1.48
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate?
The IUPAC name of [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate (CID 174798422) is [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate.
What is the SMILES notation for [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate?
The canonical SMILES for [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate is CC(=O)ON1CCC(c2cnc(N)c(Br)n2)CC1.
What is the InChIKey of [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate?
The InChIKey is CPSCDXGYDWPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-7(17)18-16-4-2-8(3-5-16)9-6-14-11(13)10(12)15-9/h6,8H,2-5H2,1H3,(H2,13,14).
What are the key properties of [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate?
[4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate has a molecular weight of 315.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate is sourced from PubChem (CID 174798422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).