3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile

C12H16N4O — CID 62685554

IUPAC3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCCOC1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C12H16N4O/c1-2-17-10-3-7-16(8-4-10)12-11(9-13)14-5-6-15-12/h5-6,10H,2-4,7-8H2,1H3
InChIKeyQHMUURZZFNQQBV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds3

About 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile

3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 62685554) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID62685554
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCCOC1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C12H16N4O/c1-2-17-10-3-7-16(8-4-10)12-11(9-13)14-5-6-15-12/h5-6,10H,2-4,7-8H2,1H3
InChIKeyQHMUURZZFNQQBV-UHFFFAOYSA-N
XLogP1.35
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,6-Dimethylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 479361
2,5-Dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine
CID 45184068
3-(4-Methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
CID 57398119
3-Morpholinopyrazine-2,5-dicarbonitrile
CID 57399772
3-[[1-(2-Propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71864804
3-{[3-(Morpholin-4-yl)propyl]amino}pyrazine-2-carbonitrile
CID 62671633
1-(5-Methylpyrazin-2-yl)piperidin-4-ol
CID 66868496
3-[4-(1-Hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 71995894
3-[3-Hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile
CID 71996015
3-[3-(Morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 71996070
3-{[3-(Cyclohexyloxy)propyl]amino}pyrazine-2-carbonitrile
CID 122562610
3-[(3S)-3-(cyclopropylmethoxy)piperidin-1-yl]-2,5-dimethylpyrazine
CID 124296139

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile (CID 62685554) is 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile is CCOC1CCN(c2nccnc2C#N)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is QHMUURZZFNQQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-17-10-3-7-16(8-4-10)12-11(9-13)14-5-6-15-12/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile?
3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 62685554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).