5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid

C16H17N3O3 — CID 122053440

IUPAC5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(Oc3ccccc3)CC2)cn1
InChIInChI=1S/C16H17N3O3/c20-16(21)14-10-18-15(11-17-14)19-8-6-13(7-9-19)22-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,20,21)
InChIKeyKYAIQHBFTXAXMY-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.22
Rot. Bonds4

About 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid

5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 122053440) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID122053440
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(Oc3ccccc3)CC2)cn1
InChIInChI=1S/C16H17N3O3/c20-16(21)14-10-18-15(11-17-14)19-8-6-13(7-9-19)22-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,20,21)
InChIKeyKYAIQHBFTXAXMY-UHFFFAOYSA-N
XLogP2.22
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid (CID 122053440) is 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(Oc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is KYAIQHBFTXAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(21)14-10-18-15(11-17-14)19-8-6-13(7-9-19)22-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,20,21).
What are the key properties of 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid?
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).