4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one

C11H17N3O — CID 114393015

IUPAC4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1CC(C)CN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C11H17N3O/c1-8-3-9(2)7-14(6-8)10-4-11(15)13-12-5-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyDTGIKZYKBFIVRB-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.25
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one

4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 114393015) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID114393015
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1CC(C)CN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C11H17N3O/c1-8-3-9(2)7-14(6-8)10-4-11(15)13-12-5-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyDTGIKZYKBFIVRB-UHFFFAOYSA-N
XLogP1.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202063
N-(3-methylbutyl)-1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203753
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203822
N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-3-carboxamide
CID 53203828
N-Butyl-N-ethyl-2-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91917371
4-Methyl-N-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924002
2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]butanamide
CID 110876537
3-Methyl-N-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876538

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one (CID 114393015) is 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one is CC1CC(C)CN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is DTGIKZYKBFIVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-3-9(2)7-14(6-8)10-4-11(15)13-12-5-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one?
4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 114393015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).