3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one

C11H18N4O — CID 62939070

IUPAC3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCC(N)CC2)c1=O
InChIInChI=1S/C11H18N4O/c1-2-14-8-5-13-10(11(14)16)15-6-3-9(12)4-7-15/h5,8-9H,2-4,6-7,12H2,1H3
InChIKeyGSFUWDCWXFKDNX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.19
Rot. Bonds2

About 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one

3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one (PubChem CID 62939070) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one
PubChem CID62939070
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCC(N)CC2)c1=O
InChIInChI=1S/C11H18N4O/c1-2-14-8-5-13-10(11(14)16)15-6-3-9(12)4-7-15/h5,8-9H,2-4,6-7,12H2,1H3
InChIKeyGSFUWDCWXFKDNX-UHFFFAOYSA-N
XLogP0.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one (CID 62939070) is 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one is CCn1ccnc(N2CCC(N)CC2)c1=O.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one?
The InChIKey is GSFUWDCWXFKDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-14-8-5-13-10(11(14)16)15-6-3-9(12)4-7-15/h5,8-9H,2-4,6-7,12H2,1H3.
What are the key properties of 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one?
3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one is sourced from PubChem (CID 62939070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).