2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide

C13H17N5O — CID 131900844

IUPAC2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide
SMILESCC1(C#N)CCN(CC(=O)Nc2cnccn2)CC1
InChIInChI=1S/C13H17N5O/c1-13(10-14)2-6-18(7-3-13)9-12(19)17-11-8-15-4-5-16-11/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17,19)
InChIKeyBKHUEXTXNJQUNF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.04
Rot. Bonds3

About 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide

2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide (PubChem CID 131900844) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide
PubChem CID131900844
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide
SMILESCC1(C#N)CCN(CC(=O)Nc2cnccn2)CC1
InChIInChI=1S/C13H17N5O/c1-13(10-14)2-6-18(7-3-13)9-12(19)17-11-8-15-4-5-16-11/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17,19)
InChIKeyBKHUEXTXNJQUNF-UHFFFAOYSA-N
XLogP1.04
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide (CID 131900844) is 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide is CC1(C#N)CCN(CC(=O)Nc2cnccn2)CC1.
What is the InChIKey of 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide?
The InChIKey is BKHUEXTXNJQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-13(10-14)2-6-18(7-3-13)9-12(19)17-11-8-15-4-5-16-11/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17,19).
What are the key properties of 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide?
2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 131900844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).