3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one

C12H20N4O — CID 114570393

IUPAC3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCNC(C)C1CCCCN1c1ncc[nH]c1=O
InChIInChI=1S/C12H20N4O/c1-9(13-2)10-5-3-4-8-16(10)11-12(17)15-7-6-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyMDMRMOWZLAKOJX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds3

About 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one

3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 114570393) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID114570393
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCNC(C)C1CCCCN1c1ncc[nH]c1=O
InChIInChI=1S/C12H20N4O/c1-9(13-2)10-5-3-4-8-16(10)11-12(17)15-7-6-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyMDMRMOWZLAKOJX-UHFFFAOYSA-N
XLogP0.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-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-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one (CID 114570393) is 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one is CNC(C)C1CCCCN1c1ncc[nH]c1=O.
What is the InChIKey of 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is MDMRMOWZLAKOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(13-2)10-5-3-4-8-16(10)11-12(17)15-7-6-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one?
3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 114570393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).