[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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Related Compounds

cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol
CID 118049822
3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine
CID 118045322
[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174721981
5-(1-methylpiperidin-4-yl)pyrazine-2,3-diamine
CID 67362960
1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
CID 71448569
3,5-dibromopyrazin-2-amine;ethane
CID 143486522
4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87370877
3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
CID 141342852
[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174622965
[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 123305693
methyl 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoate
CID 118046000
methyl 2-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-6-fluorobenzoate
CID 141444462

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).