methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate

C12H17N3O2 — CID 116972483

IUPACmethyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C12H17N3O2/c1-9-5-6-11(14-13-9)15-7-3-4-10(8-15)12(16)17-2/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyMCYUBMJJDGGBFX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.17
Rot. Bonds2

About methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate

methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate (PubChem CID 116972483) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
PubChem CID116972483
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C12H17N3O2/c1-9-5-6-11(14-13-9)15-7-3-4-10(8-15)12(16)17-2/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyMCYUBMJJDGGBFX-UHFFFAOYSA-N
XLogP1.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118540
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
N-(3,5-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118510
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118430
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate (CID 116972483) is methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2ccc(C)nn2)C1.
What is the InChIKey of methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate?
The InChIKey is MCYUBMJJDGGBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-5-6-11(14-13-9)15-7-3-4-10(8-15)12(16)17-2/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate?
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate is sourced from PubChem (CID 116972483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).