3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid

C12H15N3O4 — CID 63134096

IUPAC3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C12H15N3O4/c1-12(11(18)19)3-2-4-15(7-12)10(17)8-5-14-9(16)6-13-8/h5-6H,2-4,7H2,1H3,(H,14,16)(H,18,19)
InChIKeyIFWZHSBJACAAKQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.10
Rot. Bonds2

About 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid

3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63134096) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID63134096
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C12H15N3O4/c1-12(11(18)19)3-2-4-15(7-12)10(17)8-5-14-9(16)6-13-8/h5-6H,2-4,7H2,1H3,(H,14,16)(H,18,19)
InChIKeyIFWZHSBJACAAKQ-UHFFFAOYSA-N
XLogP0.10
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid (CID 63134096) is 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is IFWZHSBJACAAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(11(18)19)3-2-4-15(7-12)10(17)8-5-14-9(16)6-13-8/h5-6H,2-4,7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63134096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).