2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid

C12H14N4O2 — CID 62671974

IUPAC2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid
SMILESN#Cc1nccnc1N1CCCCC1CC(=O)O
InChIInChI=1S/C12H14N4O2/c13-8-10-12(15-5-4-14-10)16-6-2-1-3-9(16)7-11(17)18/h4-5,9H,1-3,6-7H2,(H,17,18)
InChIKeyOIMGKRNZGZMEAV-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.18
Rot. Bonds3

About 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid

2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid (PubChem CID 62671974) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid
PubChem CID62671974
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid
SMILESN#Cc1nccnc1N1CCCCC1CC(=O)O
InChIInChI=1S/C12H14N4O2/c13-8-10-12(15-5-4-14-10)16-6-2-1-3-9(16)7-11(17)18/h4-5,9H,1-3,6-7H2,(H,17,18)
InChIKeyOIMGKRNZGZMEAV-UHFFFAOYSA-N
XLogP1.18
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid (CID 62671974) is 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid is N#Cc1nccnc1N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid?
The InChIKey is OIMGKRNZGZMEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-8-10-12(15-5-4-14-10)16-6-2-1-3-9(16)7-11(17)18/h4-5,9H,1-3,6-7H2,(H,17,18).
What are the key properties of 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid?
2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyanopyrazin-2-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 62671974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).