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

C12H15N3O2 — CID 55157175

IUPAC1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
SMILESO=C1CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C12H15N3O2/c16-10-3-6-14(7-4-10)11-12(17)15(8-5-13-11)9-1-2-9/h5,8-9H,1-4,6-7H2
InChIKeyIFIFGYRCPAPSDN-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.75
Rot. Bonds2

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

1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one (PubChem CID 55157175) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
PubChem CID55157175
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
SMILESO=C1CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C12H15N3O2/c16-10-3-6-14(7-4-10)11-12(17)15(8-5-13-11)9-1-2-9/h5,8-9H,1-4,6-7H2
InChIKeyIFIFGYRCPAPSDN-UHFFFAOYSA-N
XLogP0.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one (CID 55157175) is 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one is O=C1CCN(c2nccn(C3CC3)c2=O)CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The InChIKey is IFIFGYRCPAPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-10-3-6-14(7-4-10)11-12(17)15(8-5-13-11)9-1-2-9/h5,8-9H,1-4,6-7H2.
What are the key properties of 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 55157175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).