4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one

C16H20N4O2S — CID 46961317

IUPAC4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C(=O)N1CCCCC1)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C16H20N4O2S/c1-11(15(21)19-7-3-2-4-8-19)20-16(22)12(17)10-13(18-20)14-6-5-9-23-14/h5-6,9-11H,2-4,7-8,17H2,1H3
InChIKeyDPESLUXZZWCWKT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.13
Rot. Bonds3

About 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one

4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one (PubChem CID 46961317) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
PubChem CID46961317
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C(=O)N1CCCCC1)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C16H20N4O2S/c1-11(15(21)19-7-3-2-4-8-19)20-16(22)12(17)10-13(18-20)14-6-5-9-23-14/h5-6,9-11H,2-4,7-8,17H2,1H3
InChIKeyDPESLUXZZWCWKT-UHFFFAOYSA-N
XLogP2.13
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one (CID 46961317) is 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one is CC(C(=O)N1CCCCC1)n1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is DPESLUXZZWCWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(15(21)19-7-3-2-4-8-19)20-16(22)12(17)10-13(18-20)14-6-5-9-23-14/h5-6,9-11H,2-4,7-8,17H2,1H3.
What are the key properties of 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 332.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 46961317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).