3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid

C14H19N3O4 — CID 62217813

IUPAC3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESCn1nc(C(=O)N2CCCCC2CCC(=O)O)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-16-12(18)7-6-11(15-16)14(21)17-9-3-2-4-10(17)5-8-13(19)20/h6-7,10H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyCNXRNRWYOZOHGI-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.64
Rot. Bonds4

About 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 62217813) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID62217813
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESCn1nc(C(=O)N2CCCCC2CCC(=O)O)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-16-12(18)7-6-11(15-16)14(21)17-9-3-2-4-10(17)5-8-13(19)20/h6-7,10H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyCNXRNRWYOZOHGI-UHFFFAOYSA-N
XLogP0.64
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 124677189
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 63722666
6-[(2R,3aS,9aR)-2-benzyl-1-methyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocine-4-carbonyl]-2-methylpyridazin-3-one
CID 110136840
3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid
CID 107069832
3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65214242
2-methyl-6-[(2S)-2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridazin-3-one
CID 97030316
6-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95736213

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid (CID 62217813) is 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid is Cn1nc(C(=O)N2CCCCC2CCC(=O)O)ccc1=O.
What is the InChIKey of 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is CNXRNRWYOZOHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16-12(18)7-6-11(15-16)14(21)17-9-3-2-4-10(17)5-8-13(19)20/h6-7,10H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).