3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one

C13H21N3O2 — CID 102954464

IUPAC3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one
SMILESCC1CCNCC1Oc1nccn(C(C)C)c1=O
InChIInChI=1S/C13H21N3O2/c1-9(2)16-7-6-15-12(13(16)17)18-11-8-14-5-4-10(11)3/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyCKQVRJZYENUCCM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds3

About 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one

3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one (PubChem CID 102954464) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one
PubChem CID102954464
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one
SMILESCC1CCNCC1Oc1nccn(C(C)C)c1=O
InChIInChI=1S/C13H21N3O2/c1-9(2)16-7-6-15-12(13(16)17)18-11-8-14-5-4-10(11)3/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyCKQVRJZYENUCCM-UHFFFAOYSA-N
XLogP1.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-3-(4-methylpiperidin-3-yl)oxypyrazine
CID 102954494
5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine
CID 102954683
4-(4-methylpiperidin-3-yl)oxypyrimidine
CID 102954700
3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 79719529
2-(3-oxo-4-propan-2-ylpyrazin-2-yl)oxyacetic acid
CID 114335330
1-ethyl-3-piperidin-4-yloxypyrazin-2-one
CID 62929757
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62929902
3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1-propan-2-ylpyrazin-2-one
CID 62929880
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195
1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine
CID 102954736
N-(1-propan-2-ylimidazol-2-yl)piperidin-4-amine
CID 115026071

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one (CID 102954464) is 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one is CC1CCNCC1Oc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one?
The InChIKey is CKQVRJZYENUCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16-7-6-15-12(13(16)17)18-11-8-14-5-4-10(11)3/h6-7,9-11,14H,4-5,8H2,1-3H3.
What are the key properties of 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one?
3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-3-yl)oxy-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 102954464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).