2-piperidin-4-yl-1-pyrazin-2-ylethanone

C11H15N3O — CID 116559954

IUPAC2-piperidin-4-yl-1-pyrazin-2-ylethanone
SMILESO=C(CC1CCNCC1)c1cnccn1
InChIInChI=1S/C11H15N3O/c15-11(10-8-13-5-6-14-10)7-9-1-3-12-4-2-9/h5-6,8-9,12H,1-4,7H2
InChIKeySQSSWLYDGKGAFG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.05
Rot. Bonds3

About 2-piperidin-4-yl-1-pyrazin-2-ylethanone

2-piperidin-4-yl-1-pyrazin-2-ylethanone (PubChem CID 116559954) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-piperidin-4-yl-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-piperidin-4-yl-1-pyrazin-2-ylethanone
PubChem CID116559954
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-piperidin-4-yl-1-pyrazin-2-ylethanone
SMILESO=C(CC1CCNCC1)c1cnccn1
InChIInChI=1S/C11H15N3O/c15-11(10-8-13-5-6-14-10)7-9-1-3-12-4-2-9/h5-6,8-9,12H,1-4,7H2
InChIKeySQSSWLYDGKGAFG-UHFFFAOYSA-N
XLogP1.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone
CID 97165756
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
1-pyrazin-2-yl-2-[(3R)-pyrrolidin-3-yl]oxyethanone;hydrochloride
CID 71645143
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
CID 71641602
1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
CID 71645191
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
2-(oxolan-2-yl)-1-pyrazin-2-ylethanone
CID 62621906
1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165683
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide;hydrochloride
CID 71641434
2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone
CID 97165671
N-(2-piperidin-4-yloxyethyl)pyrazine-2-carboxamide
CID 55251519

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1-pyrazin-2-ylethanone?
The IUPAC name of 2-piperidin-4-yl-1-pyrazin-2-ylethanone (CID 116559954) is 2-piperidin-4-yl-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-piperidin-4-yl-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-piperidin-4-yl-1-pyrazin-2-ylethanone is O=C(CC1CCNCC1)c1cnccn1.
What is the InChIKey of 2-piperidin-4-yl-1-pyrazin-2-ylethanone?
The InChIKey is SQSSWLYDGKGAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11(10-8-13-5-6-14-10)7-9-1-3-12-4-2-9/h5-6,8-9,12H,1-4,7H2.
What are the key properties of 2-piperidin-4-yl-1-pyrazin-2-ylethanone?
2-piperidin-4-yl-1-pyrazin-2-ylethanone has a molecular weight of 205.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1-pyrazin-2-ylethanone is sourced from PubChem (CID 116559954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).