4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

C14H20N4O2S — CID 53202045

IUPAC4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCN(c2cn[nH]c(=O)c2)CC1)N1CCSCC1
InChIInChI=1S/C14H20N4O2S/c19-13-9-12(10-15-16-13)17-3-1-11(2-4-17)14(20)18-5-7-21-8-6-18/h9-11H,1-8H2,(H,16,19)
InChIKeyVGAPSVFFMQHYAX-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.56
Rot. Bonds2

About 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 53202045) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID53202045
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCN(c2cn[nH]c(=O)c2)CC1)N1CCSCC1
InChIInChI=1S/C14H20N4O2S/c19-13-9-12(10-15-16-13)17-3-1-11(2-4-17)14(20)18-5-7-21-8-6-18/h9-11H,1-8H2,(H,16,19)
InChIKeyVGAPSVFFMQHYAX-UHFFFAOYSA-N
XLogP0.56
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202050
4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202054
4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202063
2-Methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202107
5-{3-[2-Oxo-2-(piperidin-1-YL)ethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91907011
2-Ethyl-5-{3-[2-oxo-2-(thiomorpholin-4-YL)ethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91907069
2-Methyl-5-{3-[2-oxo-2-(thiomorpholin-4-YL)ethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917423
2-(cyclopropylmethyl)-5-{3-[2-oxo-2-(1,4-thiazinan-4-yl)ethyl]piperidino}-3(2H)-pyridazinone
CID 91917549
5-[4-(aminomethyl)-1-piperidinyl]-2-[2-oxo-2-(4-thiomorpholinyl)ethyl]-3(2H)-pyridazinone trifluoroacetate
CID 29180876
N-methyl-1-(6-oxo-1,6-dihydropyridazin-4-yl)-N-propylpiperidine-4-carboxamide
CID 53202055

Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 53202045) is 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is O=C(C1CCN(c2cn[nH]c(=O)c2)CC1)N1CCSCC1.
What is the InChIKey of 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is VGAPSVFFMQHYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13-9-12(10-15-16-13)17-3-1-11(2-4-17)14(20)18-5-7-21-8-6-18/h9-11H,1-8H2,(H,16,19).
What are the key properties of 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 308.41 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 53202045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).