N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide

C17H26N4O3 — CID 45203394

IUPACN-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCCC2)cc1=O)NCC1CCCOC1
InChIInChI=1S/C17H26N4O3/c22-16(18-10-14-5-4-8-24-13-14)12-21-17(23)9-15(11-19-21)20-6-2-1-3-7-20/h9,11,14H,1-8,10,12-13H2,(H,18,22)
InChIKeyXFFGJLMZEPWIMU-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.78
Rot. Bonds5

About N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide

N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 45203394) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
PubChem CID45203394
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCCC2)cc1=O)NCC1CCCOC1
InChIInChI=1S/C17H26N4O3/c22-16(18-10-14-5-4-8-24-13-14)12-21-17(23)9-15(11-19-21)20-6-2-1-3-7-20/h9,11,14H,1-8,10,12-13H2,(H,18,22)
InChIKeyXFFGJLMZEPWIMU-UHFFFAOYSA-N
XLogP0.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide (CID 45203394) is N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide is O=C(Cn1ncc(N2CCCCC2)cc1=O)NCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is XFFGJLMZEPWIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-16(18-10-14-5-4-8-24-13-14)12-21-17(23)9-15(11-19-21)20-6-2-1-3-7-20/h9,11,14H,1-8,10,12-13H2,(H,18,22).
What are the key properties of N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 45203394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).