3-piperidin-3-yloxy-1-propylpyrazin-2-one

C12H19N3O2 — CID 62928183

IUPAC3-piperidin-3-yloxy-1-propylpyrazin-2-one
SMILESCCCn1ccnc(OC2CCCNC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-7-15-8-6-14-11(12(15)16)17-10-4-3-5-13-9-10/h6,8,10,13H,2-5,7,9H2,1H3
InChIKeyKKJIHBLJMFXORX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.78
Rot. Bonds4

About 3-piperidin-3-yloxy-1-propylpyrazin-2-one

3-piperidin-3-yloxy-1-propylpyrazin-2-one (PubChem CID 62928183) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-piperidin-3-yloxy-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-piperidin-3-yloxy-1-propylpyrazin-2-one
PubChem CID62928183
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-piperidin-3-yloxy-1-propylpyrazin-2-one
SMILESCCCn1ccnc(OC2CCCNC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-7-15-8-6-14-11(12(15)16)17-10-4-3-5-13-9-10/h6,8,10,13H,2-5,7,9H2,1H3
InChIKeyKKJIHBLJMFXORX-UHFFFAOYSA-N
XLogP0.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-piperidin-4-yloxypyrazin-2-one
CID 62929757
1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
CID 55156625
3-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-propylpyrazin-2-one
CID 102683989
5-iodo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939644
1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
CID 114796570
3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one
CID 63600952
2-[(3S)-piperidin-3-yl]oxypyridin-3-ol
CID 71646411
3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 112565336
2-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 125041854
3-piperazin-1-yl-1-propylpyrazin-2-one
CID 62938367
3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one
CID 115324122
3-(4-propoxyphenoxy)piperidine
CID 53409332

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yloxy-1-propylpyrazin-2-one?
The IUPAC name of 3-piperidin-3-yloxy-1-propylpyrazin-2-one (CID 62928183) is 3-piperidin-3-yloxy-1-propylpyrazin-2-one.
What is the SMILES notation for 3-piperidin-3-yloxy-1-propylpyrazin-2-one?
The canonical SMILES for 3-piperidin-3-yloxy-1-propylpyrazin-2-one is CCCn1ccnc(OC2CCCNC2)c1=O.
What is the InChIKey of 3-piperidin-3-yloxy-1-propylpyrazin-2-one?
The InChIKey is KKJIHBLJMFXORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-7-15-8-6-14-11(12(15)16)17-10-4-3-5-13-9-10/h6,8,10,13H,2-5,7,9H2,1H3.
What are the key properties of 3-piperidin-3-yloxy-1-propylpyrazin-2-one?
3-piperidin-3-yloxy-1-propylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yloxy-1-propylpyrazin-2-one is sourced from PubChem (CID 62928183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).