4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid

C12H17N3O4 — CID 63123691

IUPAC4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C12H17N3O4/c1-12(11(18)19)4-6-15(7-5-12)10(17)8-2-3-9(16)14-13-8/h2-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyJDHCDIQFNCNJIK-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.03
Rot. Bonds2

About 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid

4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63123691) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID63123691
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C12H17N3O4/c1-12(11(18)19)4-6-15(7-5-12)10(17)8-2-3-9(16)14-13-8/h2-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyJDHCDIQFNCNJIK-UHFFFAOYSA-N
XLogP-0.03
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid (CID 63123691) is 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is JDHCDIQFNCNJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(11(18)19)4-6-15(7-5-12)10(17)8-2-3-9(16)14-13-8/h2-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63123691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).