3-piperazin-1-yl-1-propylpyrazin-2-one

C11H18N4O — CID 62938367

IUPAC3-piperazin-1-yl-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCNCC2)c1=O
InChIInChI=1S/C11H18N4O/c1-2-6-15-9-5-13-10(11(15)16)14-7-3-12-4-8-14/h5,9,12H,2-4,6-8H2,1H3
InChIKeyCUMRWCRAVACQPP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.06
Rot. Bonds3

About 3-piperazin-1-yl-1-propylpyrazin-2-one

3-piperazin-1-yl-1-propylpyrazin-2-one (PubChem CID 62938367) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1-propylpyrazin-2-one
PubChem CID62938367
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-piperazin-1-yl-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCNCC2)c1=O
InChIInChI=1S/C11H18N4O/c1-2-6-15-9-5-13-10(11(15)16)14-7-3-12-4-8-14/h5,9,12H,2-4,6-8H2,1H3
InChIKeyCUMRWCRAVACQPP-UHFFFAOYSA-N
XLogP0.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-propylpyrazin-2-one?
The IUPAC name of 3-piperazin-1-yl-1-propylpyrazin-2-one (CID 62938367) is 3-piperazin-1-yl-1-propylpyrazin-2-one.
What is the SMILES notation for 3-piperazin-1-yl-1-propylpyrazin-2-one?
The canonical SMILES for 3-piperazin-1-yl-1-propylpyrazin-2-one is CCCn1ccnc(N2CCNCC2)c1=O.
What is the InChIKey of 3-piperazin-1-yl-1-propylpyrazin-2-one?
The InChIKey is CUMRWCRAVACQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-6-15-9-5-13-10(11(15)16)14-7-3-12-4-8-14/h5,9,12H,2-4,6-8H2,1H3.
What are the key properties of 3-piperazin-1-yl-1-propylpyrazin-2-one?
3-piperazin-1-yl-1-propylpyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-propylpyrazin-2-one is sourced from PubChem (CID 62938367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).