(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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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).