1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C16H20N4O2S — CID 53203951

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(=O)NCc3cccs3)C2)cc1=O
InChIInChI=1S/C16H20N4O2S/c1-19-15(21)8-13(9-18-19)20-6-2-4-12(11-20)16(22)17-10-14-5-3-7-23-14/h3,5,7-9,12H,2,4,6,10-11H2,1H3,(H,17,22)
InChIKeySZUGMIKWDHVYDJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.37
Rot. Bonds4

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 53203951) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID53203951
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(=O)NCc3cccs3)C2)cc1=O
InChIInChI=1S/C16H20N4O2S/c1-19-15(21)8-13(9-18-19)20-6-2-4-12(11-20)16(22)17-10-14-5-3-7-23-14/h3,5,7-9,12H,2,4,6,10-11H2,1H3,(H,17,22)
InChIKeySZUGMIKWDHVYDJ-UHFFFAOYSA-N
XLogP1.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 28311119
CID 28311119
CID 91907066
CID 91907066
CID 91924048
CID 91924048
CID 91911812
CID 91911812
CID 53107417
CID 53107417
CID 53202042
CID 53202042
CID 53202044
CID 53202044
CID 53202106
CID 53202106
CID 53202183
CID 53202183
CID 53202185
CID 53202185
CID 53202214
CID 53202214
CID 53202265
CID 53202265

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 53203951) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is Cn1ncc(N2CCCC(C(=O)NCc3cccs3)C2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SZUGMIKWDHVYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19-15(21)8-13(9-18-19)20-6-2-4-12(11-20)16(22)17-10-14-5-3-7-23-14/h3,5,7-9,12H,2,4,6,10-11H2,1H3,(H,17,22).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53203951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).