2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid

C12H15N3O4 — CID 78980909

IUPAC2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H15N3O4/c16-10-2-1-9(13-14-10)12(19)15-5-3-8(4-6-15)7-11(17)18/h1-2,8H,3-7H2,(H,14,16)(H,17,18)
InChIKeyPFGDFMLJXSECDG-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.10
Rot. Bonds3

About 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 78980909) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID78980909
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H15N3O4/c16-10-2-1-9(13-14-10)12(19)15-5-3-8(4-6-15)7-11(17)18/h1-2,8H,3-7H2,(H,14,16)(H,17,18)
InChIKeyPFGDFMLJXSECDG-UHFFFAOYSA-N
XLogP0.10
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35951602
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 38489921
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555834
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid (CID 78980909) is 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is PFGDFMLJXSECDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-2-1-9(13-14-10)12(19)15-5-3-8(4-6-15)7-11(17)18/h1-2,8H,3-7H2,(H,14,16)(H,17,18).
What are the key properties of 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 78980909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).