(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid

C11H15N3O3 — CID 126422446

IUPAC(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid
SMILESCOc1cc(N2CCC[C@H](C(=O)O)C2)cnn1
InChIInChI=1S/C11H15N3O3/c1-17-10-5-9(6-12-13-10)14-4-2-3-8(7-14)11(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyRVLOZDFFOKUGBH-QMMMGPOBSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds3

About (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid

(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid (PubChem CID 126422446) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid
PubChem CID126422446
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid
SMILESCOc1cc(N2CCC[C@H](C(=O)O)C2)cnn1
InChIInChI=1S/C11H15N3O3/c1-17-10-5-9(6-12-13-10)14-4-2-3-8(7-14)11(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyRVLOZDFFOKUGBH-QMMMGPOBSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 122051050
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
CID 80726633
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid (CID 126422446) is (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid is COc1cc(N2CCC[C@H](C(=O)O)C2)cnn1.
What is the InChIKey of (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is RVLOZDFFOKUGBH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10-5-9(6-12-13-10)14-4-2-3-8(7-14)11(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid?
(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 126422446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).