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

C18H24N4O2S — CID 53202185

IUPAC1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCc3cccs3)CC2)cc1=O
InChIInChI=1S/C18H24N4O2S/c1-2-7-22-17(23)11-15(12-20-22)21-8-5-14(6-9-21)18(24)19-13-16-4-3-10-25-16/h3-4,10-12,14H,2,5-9,13H2,1H3,(H,19,24)
InChIKeyBSSCEHQBJXQHKO-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.25
Rot. Bonds6

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

1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53202185) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53202185
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCc3cccs3)CC2)cc1=O
InChIInChI=1S/C18H24N4O2S/c1-2-7-22-17(23)11-15(12-20-22)21-8-5-14(6-9-21)18(24)19-13-16-4-3-10-25-16/h3-4,10-12,14H,2,5-9,13H2,1H3,(H,19,24)
InChIKeyBSSCEHQBJXQHKO-UHFFFAOYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 53202185) is 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCc3cccs3)CC2)cc1=O.
What is the InChIKey of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BSSCEHQBJXQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-2-7-22-17(23)11-15(12-20-22)21-8-5-14(6-9-21)18(24)19-13-16-4-3-10-25-16/h3-4,10-12,14H,2,5-9,13H2,1H3,(H,19,24).
What are the key properties of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).