1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one

C12H16N4O2 — CID 55155080

IUPAC1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESO=C1NCCCC1Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C12H16N4O2/c17-11-9(2-1-5-14-11)15-10-12(18)16(7-6-13-10)8-3-4-8/h6-9H,1-5H2,(H,13,15)(H,14,17)
InChIKeyPFAIWLFTJPZQBX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.27
Rot. Bonds3

About 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one

1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one (PubChem CID 55155080) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
PubChem CID55155080
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESO=C1NCCCC1Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C12H16N4O2/c17-11-9(2-1-5-14-11)15-10-12(18)16(7-6-13-10)8-3-4-8/h6-9H,1-5H2,(H,13,15)(H,14,17)
InChIKeyPFAIWLFTJPZQBX-UHFFFAOYSA-N
XLogP0.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one (CID 55155080) is 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one is O=C1NCCCC1Nc1nccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The InChIKey is PFAIWLFTJPZQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11-9(2-1-5-14-11)15-10-12(18)16(7-6-13-10)8-3-4-8/h6-9H,1-5H2,(H,13,15)(H,14,17).
What are the key properties of 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one has a molecular weight of 248.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 55155080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).