3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one

C13H21N3O — CID 53015077

IUPAC3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCC(C)CC2)c1=O
InChIInChI=1S/C13H21N3O/c1-3-7-16-10-6-14-12(13(16)17)15-8-4-11(2)5-9-15/h6,10-11H,3-5,7-9H2,1-2H3
InChIKeyHFHXPLIRFVNHAD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.89
Rot. Bonds3

About 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one

3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one (PubChem CID 53015077) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one
PubChem CID53015077
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCC(C)CC2)c1=O
InChIInChI=1S/C13H21N3O/c1-3-7-16-10-6-14-12(13(16)17)15-8-4-11(2)5-9-15/h6,10-11H,3-5,7-9H2,1-2H3
InChIKeyHFHXPLIRFVNHAD-UHFFFAOYSA-N
XLogP1.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one (CID 53015077) is 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one is CCCn1ccnc(N2CCC(C)CC2)c1=O.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one?
The InChIKey is HFHXPLIRFVNHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-7-16-10-6-14-12(13(16)17)15-8-4-11(2)5-9-15/h6,10-11H,3-5,7-9H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one?
3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-1-propylpyrazin-2-one is sourced from PubChem (CID 53015077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).