4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid

C20H25N3O3 — CID 19748270

IUPAC4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid
SMILESCc1ccc(N2CCC(C(C)COc3ccc(C(=O)O)cc3)CC2)nn1
InChIInChI=1S/C20H25N3O3/c1-14(13-26-18-6-4-17(5-7-18)20(24)25)16-9-11-23(12-10-16)19-8-3-15(2)21-22-19/h3-8,14,16H,9-13H2,1-2H3,(H,24,25)
InChIKeyZOEIXOCKMLBIRV-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.41
Rot. Bonds6

About 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid

4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid (PubChem CID 19748270) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid
PubChem CID19748270
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid
SMILESCc1ccc(N2CCC(C(C)COc3ccc(C(=O)O)cc3)CC2)nn1
InChIInChI=1S/C20H25N3O3/c1-14(13-26-18-6-4-17(5-7-18)20(24)25)16-9-11-23(12-10-16)19-8-3-15(2)21-22-19/h3-8,14,16H,9-13H2,1-2H3,(H,24,25)
InChIKeyZOEIXOCKMLBIRV-UHFFFAOYSA-N
XLogP3.41
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid with MolForge

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Related Compounds

[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118974
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
CID 19773570
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
CID 14989326
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid?
The IUPAC name of 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid (CID 19748270) is 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid.
What is the SMILES notation for 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid?
The canonical SMILES for 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid is Cc1ccc(N2CCC(C(C)COc3ccc(C(=O)O)cc3)CC2)nn1.
What is the InChIKey of 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid?
The InChIKey is ZOEIXOCKMLBIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(13-26-18-6-4-17(5-7-18)20(24)25)16-9-11-23(12-10-16)19-8-3-15(2)21-22-19/h3-8,14,16H,9-13H2,1-2H3,(H,24,25).
What are the key properties of 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid?
4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid has a molecular weight of 355.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid is sourced from PubChem (CID 19748270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).