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

C15H18N4O2S — CID 53202044

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C15H18N4O2S/c20-14-8-12(9-17-18-14)19-5-3-11(4-6-19)15(21)16-10-13-2-1-7-22-13/h1-2,7-9,11H,3-6,10H2,(H,16,21)(H,18,20)
InChIKeyDKKGXFQWLDEHGH-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.36
Rot. Bonds4

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

1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53202044) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53202044
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C15H18N4O2S/c20-14-8-12(9-17-18-14)19-5-3-11(4-6-19)15(21)16-10-13-2-1-7-22-13/h1-2,7-9,11H,3-6,10H2,(H,16,21)(H,18,20)
InChIKeyDKKGXFQWLDEHGH-UHFFFAOYSA-N
XLogP1.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 53202044) is 1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DKKGXFQWLDEHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-14-8-12(9-17-18-14)19-5-3-11(4-6-19)15(21)16-10-13-2-1-7-22-13/h1-2,7-9,11H,3-6,10H2,(H,16,21)(H,18,20).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.36, 4 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-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).