3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one

C12H18N4O2 — CID 55233276

IUPAC3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NC2CCC(=O)NC2)c1=O
InChIInChI=1S/C12H18N4O2/c1-8(2)16-6-5-13-11(12(16)18)15-9-3-4-10(17)14-7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyPNWHHJUSZOPCSQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds3

About 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one

3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 55233276) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID55233276
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NC2CCC(=O)NC2)c1=O
InChIInChI=1S/C12H18N4O2/c1-8(2)16-6-5-13-11(12(16)18)15-9-3-4-10(17)14-7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyPNWHHJUSZOPCSQ-UHFFFAOYSA-N
XLogP0.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one (CID 55233276) is 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NC2CCC(=O)NC2)c1=O.
What is the InChIKey of 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is PNWHHJUSZOPCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)16-6-5-13-11(12(16)18)15-9-3-4-10(17)14-7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one?
3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55233276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).