3-piperidin-1-yl-1-propylpyrazin-2-one

C12H19N3O — CID 53015079

IUPAC3-piperidin-1-yl-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-2-7-15-10-6-13-11(12(15)16)14-8-4-3-5-9-14/h6,10H,2-5,7-9H2,1H3
InChIKeyCMTACPXNLRMXNF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds3

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

3-piperidin-1-yl-1-propylpyrazin-2-one (PubChem CID 53015079) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1-propylpyrazin-2-one
PubChem CID53015079
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-piperidin-1-yl-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-2-7-15-10-6-13-11(12(15)16)14-8-4-3-5-9-14/h6,10H,2-5,7-9H2,1H3
InChIKeyCMTACPXNLRMXNF-UHFFFAOYSA-N
XLogP1.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-propylpyrazin-2-one?
The IUPAC name of 3-piperidin-1-yl-1-propylpyrazin-2-one (CID 53015079) is 3-piperidin-1-yl-1-propylpyrazin-2-one.
What is the SMILES notation for 3-piperidin-1-yl-1-propylpyrazin-2-one?
The canonical SMILES for 3-piperidin-1-yl-1-propylpyrazin-2-one is CCCn1ccnc(N2CCCCC2)c1=O.
What is the InChIKey of 3-piperidin-1-yl-1-propylpyrazin-2-one?
The InChIKey is CMTACPXNLRMXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-7-15-10-6-13-11(12(15)16)14-8-4-3-5-9-14/h6,10H,2-5,7-9H2,1H3.
What are the key properties of 3-piperidin-1-yl-1-propylpyrazin-2-one?
3-piperidin-1-yl-1-propylpyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-propylpyrazin-2-one is sourced from PubChem (CID 53015079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).