N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide

C17H28N4O2 — CID 91917371

IUPACN-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCCCCN(CC)C(=O)CC1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H28N4O2/c1-3-5-8-20(4-2)17(23)10-14-7-6-9-21(13-14)15-11-16(22)19-18-12-15/h11-12,14H,3-10,13H2,1-2H3,(H,19,22)
InChIKeyQQCORGBQJIOCGZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.03
Rot. Bonds7

About N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide

N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91917371) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91917371
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCCCCN(CC)C(=O)CC1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H28N4O2/c1-3-5-8-20(4-2)17(23)10-14-7-6-9-21(13-14)15-11-16(22)19-18-12-15/h11-12,14H,3-10,13H2,1-2H3,(H,19,22)
InChIKeyQQCORGBQJIOCGZ-UHFFFAOYSA-N
XLogP2.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide (CID 91917371) is N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide is CCCCN(CC)C(=O)CC1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is QQCORGBQJIOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-5-8-20(4-2)17(23)10-14-7-6-9-21(13-14)15-11-16(22)19-18-12-15/h11-12,14H,3-10,13H2,1-2H3,(H,19,22).
What are the key properties of N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91917371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).