1-pyrazin-2-ylpiperidine-3-carboxylic acid

C10H13N3O2 — CID 16786441

IUPAC1-pyrazin-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-2-1-5-13(7-8)9-6-11-3-4-12-9/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKeyDQZQBNKOVJNCRU-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

About 1-pyrazin-2-ylpiperidine-3-carboxylic acid

1-pyrazin-2-ylpiperidine-3-carboxylic acid (PubChem CID 16786441) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-pyrazin-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-pyrazin-2-ylpiperidine-3-carboxylic acid
PubChem CID16786441
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-pyrazin-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-2-1-5-13(7-8)9-6-11-3-4-12-9/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKeyDQZQBNKOVJNCRU-UHFFFAOYSA-N
XLogP0.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrazin-2-yl)piperidine-4-carboxylic acid
CID 1455310
5H,6H,7H,8H-imidazo(1,2-a)pyridine-8-carboxylic acid
CID 47003545
1-(3-Aminopyrazin-2-yl)piperidine-4-carboxylic acid
CID 49837162
1-(6-Methylpyrazin-2-Yl)Piperidine-3-Carboxylic Acid
CID 24229596
5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
CID 10820947
2-(1-Pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
[2-(1-Pyrazin-2-ylpiperidin-4-yl)acetyl] 2,2,2-trifluoroacetate
CID 87188465
4-Fluoro-1-pyrazin-2-ylpiperidine-4-carboxylic acid
CID 142475897
(3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 175804234
Ethyl 1-(pyrazin-2-yl)piperidine-3-carboxylate
CID 12185674
ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate
CID 94561753
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 43440682

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 1-pyrazin-2-ylpiperidine-3-carboxylic acid (CID 16786441) is 1-pyrazin-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-pyrazin-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-pyrazin-2-ylpiperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cnccn2)C1.
What is the InChIKey of 1-pyrazin-2-ylpiperidine-3-carboxylic acid?
The InChIKey is DQZQBNKOVJNCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)8-2-1-5-13(7-8)9-6-11-3-4-12-9/h3-4,6,8H,1-2,5,7H2,(H,14,15).
What are the key properties of 1-pyrazin-2-ylpiperidine-3-carboxylic acid?
1-pyrazin-2-ylpiperidine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 16786441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).