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

C14H22N4O3 — CID 91924030

IUPAC2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
SMILESCCOCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O3/c1-3-21-10-13(19)16-11-4-6-18(7-5-11)12-8-14(20)17(2)15-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,16,19)
InChIKeyRWRQTHJFEFTFON-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.10
Rot. Bonds5

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

2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide (PubChem CID 91924030) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
PubChem CID91924030
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
SMILESCCOCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O3/c1-3-21-10-13(19)16-11-4-6-18(7-5-11)12-8-14(20)17(2)15-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,16,19)
InChIKeyRWRQTHJFEFTFON-UHFFFAOYSA-N
XLogP-0.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.10
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]acetamide?
The IUPAC name of 2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide (CID 91924030) is 2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide is CCOCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is RWRQTHJFEFTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-21-10-13(19)16-11-4-6-18(7-5-11)12-8-14(20)17(2)15-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,16,19).
What are the key properties of 2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide?
2-ethoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 294.36 g/mol, XLogP of -0.10, 5 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]acetamide is sourced from PubChem (CID 91924030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).