1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one

C10H12ClN3O — CID 103054490

IUPAC1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O/c11-9-6-12-8(5-13-9)7-14-4-2-1-3-10(14)15/h5-6H,1-4,7H2
InChIKeyXGEXNFKSOTYDCC-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.64
Rot. Bonds2

About 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one

1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one (PubChem CID 103054490) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
PubChem CID103054490
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O/c11-9-6-12-8(5-13-9)7-14-4-2-1-3-10(14)15/h5-6H,1-4,7H2
InChIKeyXGEXNFKSOTYDCC-UHFFFAOYSA-N
XLogP1.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one (CID 103054490) is 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one is O=C1CCCCN1Cc1cnc(Cl)cn1.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one?
The InChIKey is XGEXNFKSOTYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-9-6-12-8(5-13-9)7-14-4-2-1-3-10(14)15/h5-6H,1-4,7H2.
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one?
1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one is sourced from PubChem (CID 103054490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).