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

C19H26N4O2S — CID 53202183

IUPAC1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCc3cccs3)CC2)cc1=O
InChIInChI=1S/C19H26N4O2S/c1-2-9-23-18(24)13-16(14-21-23)22-10-6-15(7-11-22)19(25)20-8-5-17-4-3-12-26-17/h3-4,12-15H,2,5-11H2,1H3,(H,20,25)
InChIKeyNLCIHZUAFUXMCM-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.29
Rot. Bonds7

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

1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 53202183) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID53202183
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCc3cccs3)CC2)cc1=O
InChIInChI=1S/C19H26N4O2S/c1-2-9-23-18(24)13-16(14-21-23)22-10-6-15(7-11-22)19(25)20-8-5-17-4-3-12-26-17/h3-4,12-15H,2,5-11H2,1H3,(H,20,25)
InChIKeyNLCIHZUAFUXMCM-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.29
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-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 53202183) is 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCCc3cccs3)CC2)cc1=O.
What is the InChIKey of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is NLCIHZUAFUXMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-2-9-23-18(24)13-16(14-21-23)22-10-6-15(7-11-22)19(25)20-8-5-17-4-3-12-26-17/h3-4,12-15H,2,5-11H2,1H3,(H,20,25).
What are the key properties of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.29, 7 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-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).