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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclohexyl-N-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 91911737
"3-cyclopentyl-N-[1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide"
CID 91911745
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
4-[3-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91917369
2-methyl-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917387
2-Ethyl-5-{3-[2-(4-ethylpiperazin-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917457
N-Cyclopropyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-16-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91917542
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029

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).