1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C16H20N4O2S — CID 53202042

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C16H20N4O2S/c21-15-10-13(11-18-19-15)20-7-4-12(5-8-20)16(22)17-6-3-14-2-1-9-23-14/h1-2,9-12H,3-8H2,(H,17,22)(H,19,21)
InChIKeyIXSLFKXVZVZQKY-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.41
Rot. Bonds5

About 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 53202042) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID53202042
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C16H20N4O2S/c21-15-10-13(11-18-19-15)20-7-4-12(5-8-20)16(22)17-6-3-14-2-1-9-23-14/h1-2,9-12H,3-8H2,(H,17,22)(H,19,21)
InChIKeyIXSLFKXVZVZQKY-UHFFFAOYSA-N
XLogP1.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133304116
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277457
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 114393008
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349
1-[(2,4-dichlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600278
1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277441
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 53202042) is 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is IXSLFKXVZVZQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-15-10-13(11-18-19-15)20-7-4-12(5-8-20)16(22)17-6-3-14-2-1-9-23-14/h1-2,9-12H,3-8H2,(H,17,22)(H,19,21).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).