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

C14H19N3O4 — CID 63134417

IUPAC1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C14H19N3O4/c1-2-4-14(13(20)21)5-3-6-17(9-14)12(19)10-7-16-11(18)8-15-10/h7-8H,2-6,9H2,1H3,(H,16,18)(H,20,21)
InChIKeyKOLHWBXNABZCJT-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.88
Rot. Bonds4

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

1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63134417) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63134417
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C14H19N3O4/c1-2-4-14(13(20)21)5-3-6-17(9-14)12(19)10-7-16-11(18)8-15-10/h7-8H,2-6,9H2,1H3,(H,16,18)(H,20,21)
InChIKeyKOLHWBXNABZCJT-UHFFFAOYSA-N
XLogP0.88
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63134417) is 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is KOLHWBXNABZCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-4-14(13(20)21)5-3-6-17(9-14)12(19)10-7-16-11(18)8-15-10/h7-8H,2-6,9H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).