3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one

C11H17N3O — CID 166162682

IUPAC3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
SMILESCc1cn([C@@H]2CCCNC2)c(=O)c(C)n1
InChIInChI=1S/C11H17N3O/c1-8-7-14(11(15)9(2)13-8)10-4-3-5-12-6-10/h7,10,12H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyHZLYNFRTQMSSSQ-SNVBAGLBSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds1

About 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one

3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one (PubChem CID 166162682) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
PubChem CID166162682
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
SMILESCc1cn([C@@H]2CCCNC2)c(=O)c(C)n1
InChIInChI=1S/C11H17N3O/c1-8-7-14(11(15)9(2)13-8)10-4-3-5-12-6-10/h7,10,12H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyHZLYNFRTQMSSSQ-SNVBAGLBSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one?
The IUPAC name of 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one (CID 166162682) is 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one.
What is the SMILES notation for 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one?
The canonical SMILES for 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one is Cc1cn([C@@H]2CCCNC2)c(=O)c(C)n1.
What is the InChIKey of 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one?
The InChIKey is HZLYNFRTQMSSSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-14(11(15)9(2)13-8)10-4-3-5-12-6-10/h7,10,12H,3-6H2,1-2H3/t10-/m1/s1.
What are the key properties of 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one?
3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one is sourced from PubChem (CID 166162682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).