1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid

C11H15BrN4O2 — CID 91211922

IUPAC1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(c2nc(Br)cnc2N)CCC1C(=O)O
InChIInChI=1S/C11H15BrN4O2/c1-6-5-16(3-2-7(6)11(17)18)10-9(13)14-4-8(12)15-10/h4,6-7H,2-3,5H2,1H3,(H2,13,14)(H,17,18)
InChIKeyVUQWZYHICYWPKE-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.37
Rot. Bonds2

About 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid

1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid (PubChem CID 91211922) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
PubChem CID91211922
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(c2nc(Br)cnc2N)CCC1C(=O)O
InChIInChI=1S/C11H15BrN4O2/c1-6-5-16(3-2-7(6)11(17)18)10-9(13)14-4-8(12)15-10/h4,6-7H,2-3,5H2,1H3,(H2,13,14)(H,17,18)
InChIKeyVUQWZYHICYWPKE-UHFFFAOYSA-N
XLogP1.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid (CID 91211922) is 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid is CC1CN(c2nc(Br)cnc2N)CCC1C(=O)O.
What is the InChIKey of 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid?
The InChIKey is VUQWZYHICYWPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-6-5-16(3-2-7(6)11(17)18)10-9(13)14-4-8(12)15-10/h4,6-7H,2-3,5H2,1H3,(H2,13,14)(H,17,18).
What are the key properties of 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid?
1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid has a molecular weight of 315.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 91211922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).