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

C16H20N4O2S — CID 53202106

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCc3cccs3)CC2)cc1=O
InChIInChI=1S/C16H20N4O2S/c1-19-15(21)9-13(10-18-19)20-6-4-12(5-7-20)16(22)17-11-14-3-2-8-23-14/h2-3,8-10,12H,4-7,11H2,1H3,(H,17,22)
InChIKeyQKVOWSHSFWWVFB-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.37
Rot. Bonds4

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

1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53202106) 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-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53202106
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCc3cccs3)CC2)cc1=O
InChIInChI=1S/C16H20N4O2S/c1-19-15(21)9-13(10-18-19)20-6-4-12(5-7-20)16(22)17-11-14-3-2-8-23-14/h2-3,8-10,12H,4-7,11H2,1H3,(H,17,22)
InChIKeyQKVOWSHSFWWVFB-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 53202106) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is Cn1ncc(N2CCC(C(=O)NCc3cccs3)CC2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is QKVOWSHSFWWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19-15(21)9-13(10-18-19)20-6-4-12(5-7-20)16(22)17-11-14-3-2-8-23-14/h2-3,8-10,12H,4-7,11H2,1H3,(H,17,22).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 53202106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).