4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid

C11H15ClN4O2 — CID 22135680

IUPAC4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2nccnc2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c12-9-10(14-4-3-13-9)15-7-8-1-5-16(6-2-8)11(17)18/h3-4,8H,1-2,5-7H2,(H,14,15)(H,17,18)
InChIKeyOVYCWGXMCVTQHO-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.93
Rot. Bonds3

About 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid

4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 22135680) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID22135680
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2nccnc2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c12-9-10(14-4-3-13-9)15-7-8-1-5-16(6-2-8)11(17)18/h3-4,8H,1-2,5-7H2,(H,14,15)(H,17,18)
InChIKeyOVYCWGXMCVTQHO-UHFFFAOYSA-N
XLogP1.93
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid (CID 22135680) is 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNc2nccnc2Cl)CC1.
What is the InChIKey of 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is OVYCWGXMCVTQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-10(14-4-3-13-9)15-7-8-1-5-16(6-2-8)11(17)18/h3-4,8H,1-2,5-7H2,(H,14,15)(H,17,18).
What are the key properties of 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22135680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).