2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H24N4O2S — CID 91907066

IUPAC2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCn1ncc(N2CCCC(CC(=O)NCc3cccs3)C2)cc1=O
InChIInChI=1S/C18H24N4O2S/c1-2-22-18(24)10-15(11-20-22)21-7-3-5-14(13-21)9-17(23)19-12-16-6-4-8-25-16/h4,6,8,10-11,14H,2-3,5,7,9,12-13H2,1H3,(H,19,23)
InChIKeyIYUAMQQMNMWKHH-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.25
Rot. Bonds6

About 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 91907066) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID91907066
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCn1ncc(N2CCCC(CC(=O)NCc3cccs3)C2)cc1=O
InChIInChI=1S/C18H24N4O2S/c1-2-22-18(24)10-15(11-20-22)21-7-3-5-14(13-21)9-17(23)19-12-16-6-4-8-25-16/h4,6,8,10-11,14H,2-3,5,7,9,12-13H2,1H3,(H,19,23)
InChIKeyIYUAMQQMNMWKHH-UHFFFAOYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 91907066) is 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is CCn1ncc(N2CCCC(CC(=O)NCc3cccs3)C2)cc1=O.
What is the InChIKey of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IYUAMQQMNMWKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-2-22-18(24)10-15(11-20-22)21-7-3-5-14(13-21)9-17(23)19-12-16-6-4-8-25-16/h4,6,8,10-11,14H,2-3,5,7,9,12-13H2,1H3,(H,19,23).
What are the key properties of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 91907066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).