methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate

C18H21N3O3 — CID 108773382

IUPACmethyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)C1
InChIInChI=1S/C18H21N3O3/c1-23-15-7-5-13(6-8-15)16-9-10-17(20-19-16)21-11-3-4-14(12-21)18(22)24-2/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyVETWFOLAZVGRQF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.54
Rot. Bonds4

About methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate

methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate (PubChem CID 108773382) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
PubChem CID108773382
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)C1
InChIInChI=1S/C18H21N3O3/c1-23-15-7-5-13(6-8-15)16-9-10-17(20-19-16)21-11-3-4-14(12-21)18(22)24-2/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyVETWFOLAZVGRQF-UHFFFAOYSA-N
XLogP2.54
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070397
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866144
ethyl (3R)-1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-3-carboxylate
CID 95064447
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine
CID 108773106
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025038
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225

Frequently Asked Questions

What is the IUPAC name of methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate (CID 108773382) is methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate is COC(=O)C1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)C1.
What is the InChIKey of methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate?
The InChIKey is VETWFOLAZVGRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-7-5-13(6-8-15)16-9-10-17(20-19-16)21-11-3-4-14(12-21)18(22)24-2/h5-10,14H,3-4,11-12H2,1-2H3.
What are the key properties of methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate?
methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate is sourced from PubChem (CID 108773382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).