3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one

C14H21N3O2 — CID 55258920

IUPAC3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCCC2C(C)=O)c1=O
InChIInChI=1S/C14H21N3O2/c1-3-8-16-10-7-15-13(14(16)19)17-9-5-4-6-12(17)11(2)18/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyPFWOJKRNRSPMHZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds4

About 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one

3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one (PubChem CID 55258920) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one
PubChem CID55258920
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCCC2C(C)=O)c1=O
InChIInChI=1S/C14H21N3O2/c1-3-8-16-10-7-15-13(14(16)19)17-9-5-4-6-12(17)11(2)18/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyPFWOJKRNRSPMHZ-UHFFFAOYSA-N
XLogP1.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one?
The IUPAC name of 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one (CID 55258920) is 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one is CCCn1ccnc(N2CCCCC2C(C)=O)c1=O.
What is the InChIKey of 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one?
The InChIKey is PFWOJKRNRSPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-8-16-10-7-15-13(14(16)19)17-9-5-4-6-12(17)11(2)18/h7,10,12H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one?
3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylpiperidin-1-yl)-1-propylpyrazin-2-one is sourced from PubChem (CID 55258920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).