1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid

C11H15N3O3 — CID 91812147

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid
SMILESCn1ncc(N2CCC(C(=O)O)CC2)cc1=O
InChIInChI=1S/C11H15N3O3/c1-13-10(15)6-9(7-12-13)14-4-2-8(3-5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyKLEHCJJLOLWLGH-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.08
Rot. Bonds2

About 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid

1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid (PubChem CID 91812147) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid
PubChem CID91812147
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid
SMILESCn1ncc(N2CCC(C(=O)O)CC2)cc1=O
InChIInChI=1S/C11H15N3O3/c1-13-10(15)6-9(7-12-13)14-4-2-8(3-5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyKLEHCJJLOLWLGH-UHFFFAOYSA-N
XLogP0.08
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid (CID 91812147) is 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid is Cn1ncc(N2CCC(C(=O)O)CC2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is KLEHCJJLOLWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-10(15)6-9(7-12-13)14-4-2-8(3-5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid?
1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 91812147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).