2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide

C15H24N4O3 — CID 70723002

IUPAC2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O3/c1-3-22-11-14(20)16-9-12-4-6-19(7-5-12)13-8-15(21)18(2)17-10-13/h8,10,12H,3-7,9,11H2,1-2H3,(H,16,20)
InChIKeyGQJZWMSSEWRFAW-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.15
Rot. Bonds6

About 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide

2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 70723002) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID70723002
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O3/c1-3-22-11-14(20)16-9-12-4-6-19(7-5-12)13-8-15(21)18(2)17-10-13/h8,10,12H,3-7,9,11H2,1-2H3,(H,16,20)
InChIKeyGQJZWMSSEWRFAW-UHFFFAOYSA-N
XLogP0.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide (CID 70723002) is 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide is CCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is GQJZWMSSEWRFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-22-11-14(20)16-9-12-4-6-19(7-5-12)13-8-15(21)18(2)17-10-13/h8,10,12H,3-7,9,11H2,1-2H3,(H,16,20).
What are the key properties of 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70723002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).