4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide

C19H26N6OS — CID 122335991

IUPAC4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)Nc3cccs3)CC2)nn1
InChIInChI=1S/C19H26N6OS/c1-15-5-2-3-9-25(15)17-8-7-16(21-22-17)23-10-12-24(13-11-23)19(26)20-18-6-4-14-27-18/h4,6-8,14-15H,2-3,5,9-13H2,1H3,(H,20,26)
InChIKeyCVSPDLVIFLLBGT-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.27
Rot. Bonds3

About 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide

4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 122335991) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID122335991
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)Nc3cccs3)CC2)nn1
InChIInChI=1S/C19H26N6OS/c1-15-5-2-3-9-25(15)17-8-7-16(21-22-17)23-10-12-24(13-11-23)19(26)20-18-6-4-14-27-18/h4,6-8,14-15H,2-3,5,9-13H2,1H3,(H,20,26)
InChIKeyCVSPDLVIFLLBGT-UHFFFAOYSA-N
XLogP3.27
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122160627
N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335737
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335723
N-(3-fluoro-4-methylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335740
N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335713
N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122346068
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122335765
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide (CID 122335991) is 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide is CC1CCCCN1c1ccc(N2CCN(C(=O)Nc3cccs3)CC2)nn1.
What is the InChIKey of 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is CVSPDLVIFLLBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-15-5-2-3-9-25(15)17-8-7-16(21-22-17)23-10-12-24(13-11-23)19(26)20-18-6-4-14-27-18/h4,6-8,14-15H,2-3,5,9-13H2,1H3,(H,20,26).
What are the key properties of 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 386.53 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122335991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).