2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C22H30N4O4 — CID 91917485

IUPAC2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)NCc3ccccc3OC)C2)cc1=O
InChIInChI=1S/C22H30N4O4/c1-29-11-10-26-22(28)13-19(15-24-26)25-9-5-6-17(16-25)12-21(27)23-14-18-7-3-4-8-20(18)30-2/h3-4,7-8,13,15,17H,5-6,9-12,14,16H2,1-2H3,(H,23,27)
InChIKeyLNBIELJGFWDBQH-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.82
Rot. Bonds9

About 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 91917485) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID91917485
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)NCc3ccccc3OC)C2)cc1=O
InChIInChI=1S/C22H30N4O4/c1-29-11-10-26-22(28)13-19(15-24-26)25-9-5-6-17(16-25)12-21(27)23-14-18-7-3-4-8-20(18)30-2/h3-4,7-8,13,15,17H,5-6,9-12,14,16H2,1-2H3,(H,23,27)
InChIKeyLNBIELJGFWDBQH-UHFFFAOYSA-N
XLogP1.82
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 91917485) is 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COCCn1ncc(N2CCCC(CC(=O)NCc3ccccc3OC)C2)cc1=O.
What is the InChIKey of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is LNBIELJGFWDBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-29-11-10-26-22(28)13-19(15-24-26)25-9-5-6-17(16-25)12-21(27)23-14-18-7-3-4-8-20(18)30-2/h3-4,7-8,13,15,17H,5-6,9-12,14,16H2,1-2H3,(H,23,27).
What are the key properties of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 91917485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).