(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid

C10H13N3O2 — CID 124676115

IUPAC(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2ccnnc2)C1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-2-1-5-13(7-8)9-3-4-11-12-6-9/h3-4,6,8H,1-2,5,7H2,(H,14,15)/t8-/m1/s1
InChIKeyFGISCIFDHJJLJF-MRVPVSSYSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

About (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid

(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid (PubChem CID 124676115) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
PubChem CID124676115
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2ccnnc2)C1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-2-1-5-13(7-8)9-3-4-11-12-6-9/h3-4,6,8H,1-2,5,7H2,(H,14,15)/t8-/m1/s1
InChIKeyFGISCIFDHJJLJF-MRVPVSSYSA-N
XLogP0.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid
CID 126422446
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
CID 115032530
1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
CID 80507826
1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
CID 83971736
1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
1-[4-(methylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967234
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821

Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid (CID 124676115) is (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(c2ccnnc2)C1.
What is the InChIKey of (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid?
The InChIKey is FGISCIFDHJJLJF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)8-2-1-5-13(7-8)9-3-4-11-12-6-9/h3-4,6,8H,1-2,5,7H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid?
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 124676115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).