1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one

C16H28N4O — CID 63853697

IUPAC1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one
SMILESCCCNC(C)C1CCCN(c2nccn(CC)c2=O)C1
InChIInChI=1S/C16H28N4O/c1-4-8-17-13(3)14-7-6-10-20(12-14)15-16(21)19(5-2)11-9-18-15/h9,11,13-14,17H,4-8,10,12H2,1-3H3
InChIKeyWLSXKJPEMCOZNE-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.87
Rot. Bonds6

About 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one

1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one (PubChem CID 63853697) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one
PubChem CID63853697
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one
SMILESCCCNC(C)C1CCCN(c2nccn(CC)c2=O)C1
InChIInChI=1S/C16H28N4O/c1-4-8-17-13(3)14-7-6-10-20(12-14)15-16(21)19(5-2)11-9-18-15/h9,11,13-14,17H,4-8,10,12H2,1-3H3
InChIKeyWLSXKJPEMCOZNE-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one (CID 63853697) is 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one is CCCNC(C)C1CCCN(c2nccn(CC)c2=O)C1.
What is the InChIKey of 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one?
The InChIKey is WLSXKJPEMCOZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-8-17-13(3)14-7-6-10-20(12-14)15-16(21)19(5-2)11-9-18-15/h9,11,13-14,17H,4-8,10,12H2,1-3H3.
What are the key properties of 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one?
1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one has a molecular weight of 292.43 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 63853697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).