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

C12H18N4O2 — CID 62928980

IUPAC3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCCNC2=O)c1=O
InChIInChI=1S/C12H18N4O2/c1-2-7-16-8-6-13-10(12(16)18)15-9-4-3-5-14-11(9)17/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,17)
InChIKeyGUKHIDIMIFLGQX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.34
Rot. Bonds4

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

3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one (PubChem CID 62928980) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one
PubChem CID62928980
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCCNC2=O)c1=O
InChIInChI=1S/C12H18N4O2/c1-2-7-16-8-6-13-10(12(16)18)15-9-4-3-5-14-11(9)17/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,17)
InChIKeyGUKHIDIMIFLGQX-UHFFFAOYSA-N
XLogP0.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one (CID 62928980) is 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2CCCNC2=O)c1=O.
What is the InChIKey of 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one?
The InChIKey is GUKHIDIMIFLGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-7-16-8-6-13-10(12(16)18)15-9-4-3-5-14-11(9)17/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one?
3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62928980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).