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

C19H31N5O3 — CID 91917444

IUPAC2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCn1ncc(N2CCCC(CC(=O)NCCN3CCOCC3)C2)cc1=O
InChIInChI=1S/C19H31N5O3/c1-2-24-19(26)13-17(14-21-24)23-6-3-4-16(15-23)12-18(25)20-5-7-22-8-10-27-11-9-22/h13-14,16H,2-12,15H2,1H3,(H,20,25)
InChIKeyZWYYMABKKQOWSX-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.32
Rot. Bonds7

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

2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 91917444) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID91917444
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCn1ncc(N2CCCC(CC(=O)NCCN3CCOCC3)C2)cc1=O
InChIInChI=1S/C19H31N5O3/c1-2-24-19(26)13-17(14-21-24)23-6-3-4-16(15-23)12-18(25)20-5-7-22-8-10-27-11-9-22/h13-14,16H,2-12,15H2,1H3,(H,20,25)
InChIKeyZWYYMABKKQOWSX-UHFFFAOYSA-N
XLogP0.32
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 91917444) is 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is CCn1ncc(N2CCCC(CC(=O)NCCN3CCOCC3)C2)cc1=O.
What is the InChIKey of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is ZWYYMABKKQOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-2-24-19(26)13-17(14-21-24)23-6-3-4-16(15-23)12-18(25)20-5-7-22-8-10-27-11-9-22/h13-14,16H,2-12,15H2,1H3,(H,20,25).
What are the key properties of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 91917444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).