N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide

C11H15ClN4O — CID 71978068

IUPACN-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2cncc(Cl)n2)C1
InChIInChI=1S/C11H15ClN4O/c1-8(17)14-9-3-2-4-16(7-9)11-6-13-5-10(12)15-11/h5-6,9H,2-4,7H2,1H3,(H,14,17)
InChIKeyUNPVLPHINPCBDK-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.23
Rot. Bonds2

About N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide

N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide (PubChem CID 71978068) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide
PubChem CID71978068
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC NameN-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2cncc(Cl)n2)C1
InChIInChI=1S/C11H15ClN4O/c1-8(17)14-9-3-2-4-16(7-9)11-6-13-5-10(12)15-11/h5-6,9H,2-4,7H2,1H3,(H,14,17)
InChIKeyUNPVLPHINPCBDK-UHFFFAOYSA-N
XLogP1.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide (CID 71978068) is N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2cncc(Cl)n2)C1.
What is the InChIKey of N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide?
The InChIKey is UNPVLPHINPCBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-8(17)14-9-3-2-4-16(7-9)11-6-13-5-10(12)15-11/h5-6,9H,2-4,7H2,1H3,(H,14,17).
What are the key properties of N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide?
N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide has a molecular weight of 254.72 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 71978068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).