1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid

C14H19N3O4 — CID 43354231

IUPAC1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCCCn1nc(C(=O)N2CCC(C(=O)O)CC2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-2-7-17-12(18)4-3-11(15-17)13(19)16-8-5-10(6-9-16)14(20)21/h3-4,10H,2,5-9H2,1H3,(H,20,21)
InChIKeyNMJJWYGYKOBIQH-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.59
Rot. Bonds4

About 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid

1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 43354231) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID43354231
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCCCn1nc(C(=O)N2CCC(C(=O)O)CC2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-2-7-17-12(18)4-3-11(15-17)13(19)16-8-5-10(6-9-16)14(20)21/h3-4,10H,2,5-9H2,1H3,(H,20,21)
InChIKeyNMJJWYGYKOBIQH-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid (CID 43354231) is 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid is CCCn1nc(C(=O)N2CCC(C(=O)O)CC2)ccc1=O.
What is the InChIKey of 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is NMJJWYGYKOBIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-7-17-12(18)4-3-11(15-17)13(19)16-8-5-10(6-9-16)14(20)21/h3-4,10H,2,5-9H2,1H3,(H,20,21).
What are the key properties of 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid?
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43354231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).