3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one

C16H19N3O — CID 115650144

IUPAC3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3O/c20-16-15(17-8-9-18-16)19-10-6-14(7-11-19)12-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2,(H,18,20)
InChIKeyVJABZVJSBRJYKO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.23
Rot. Bonds3

About 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one

3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one (PubChem CID 115650144) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
PubChem CID115650144
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3O/c20-16-15(17-8-9-18-16)19-10-6-14(7-11-19)12-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2,(H,18,20)
InChIKeyVJABZVJSBRJYKO-UHFFFAOYSA-N
XLogP2.23
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-benzylpiperidin-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

Related Compounds

3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
CID 114570494
3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
CID 114571263
7-(4-benzylpiperidin-1-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
CID 11515256
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
2-(4-benzylpiperidin-1-yl)-1H-pyrimidine-4,6-dione
CID 139214607
3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943270
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 115650168
2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863740

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one (CID 115650144) is 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one?
The InChIKey is VJABZVJSBRJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16-15(17-8-9-18-16)19-10-6-14(7-11-19)12-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2,(H,18,20).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one?
3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 115650144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).