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

C11H17N3O2 — CID 115657150

IUPAC3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
SMILESCCOC1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O2/c1-2-16-9-3-7-14(8-4-9)10-11(15)13-6-5-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyJUIMULAHZIDBCL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds3

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

3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one (PubChem CID 115657150) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
PubChem CID115657150
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
SMILESCCOC1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O2/c1-2-16-9-3-7-14(8-4-9)10-11(15)13-6-5-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyJUIMULAHZIDBCL-UHFFFAOYSA-N
XLogP0.78
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
CID 114570494
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
CID 114571263
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 126887844
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650144
4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957566
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 115684957
6-tert-butyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944613

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one (CID 115657150) is 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one is CCOC1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one?
The InChIKey is JUIMULAHZIDBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-9-3-7-14(8-4-9)10-11(15)13-6-5-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,15).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one?
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 115657150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).