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

C11H16N4O2 — CID 62928805

IUPAC1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESCCn1ccnc(NC2CCCNC2=O)c1=O
InChIInChI=1S/C11H16N4O2/c1-2-15-7-6-12-9(11(15)17)14-8-4-3-5-13-10(8)16/h6-8H,2-5H2,1H3,(H,12,14)(H,13,16)
InChIKeyQHMJLFALBMOWOP-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.05
Rot. Bonds3

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

1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one (PubChem CID 62928805) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
PubChem CID62928805
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESCCn1ccnc(NC2CCCNC2=O)c1=O
InChIInChI=1S/C11H16N4O2/c1-2-15-7-6-12-9(11(15)17)14-8-4-3-5-13-10(8)16/h6-8H,2-5H2,1H3,(H,12,14)(H,13,16)
InChIKeyQHMJLFALBMOWOP-UHFFFAOYSA-N
XLogP-0.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one (CID 62928805) is 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one is CCn1ccnc(NC2CCCNC2=O)c1=O.
What is the InChIKey of 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The InChIKey is QHMJLFALBMOWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-15-7-6-12-9(11(15)17)14-8-4-3-5-13-10(8)16/h6-8H,2-5H2,1H3,(H,12,14)(H,13,16).
What are the key properties of 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 62928805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).