1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one

C10H13N3O2 — CID 62938504

IUPAC1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
SMILESCn1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C10H13N3O2/c1-12-7-4-11-9(10(12)15)13-5-2-8(14)3-6-13/h4,7H,2-3,5-6H2,1H3
InChIKeyTVWBLJJMEDKRFJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.05
Rot. Bonds1

About 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one

1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one (PubChem CID 62938504) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
PubChem CID62938504
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
SMILESCn1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C10H13N3O2/c1-12-7-4-11-9(10(12)15)13-5-2-8(14)3-6-13/h4,7H,2-3,5-6H2,1H3
InChIKeyTVWBLJJMEDKRFJ-UHFFFAOYSA-N
XLogP-0.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one (CID 62938504) is 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one is Cn1ccnc(N2CCC(=O)CC2)c1=O.
What is the InChIKey of 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The InChIKey is TVWBLJJMEDKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-7-4-11-9(10(12)15)13-5-2-8(14)3-6-13/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one has a molecular weight of 207.23 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 62938504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).