2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid

C17H18N4O3 — CID 154746480

IUPAC2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(C(=O)Nc2cccnn2)CC1
InChIInChI=1S/C17H18N4O3/c22-16(23)14-5-2-1-4-13(14)12-7-10-21(11-8-12)17(24)19-15-6-3-9-18-20-15/h1-6,9,12H,7-8,10-11H2,(H,22,23)(H,19,20,24)
InChIKeyIUBMHRWOPXXLSG-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.59
Rot. Bonds3

About 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid

2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid (PubChem CID 154746480) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid
PubChem CID154746480
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(C(=O)Nc2cccnn2)CC1
InChIInChI=1S/C17H18N4O3/c22-16(23)14-5-2-1-4-13(14)12-7-10-21(11-8-12)17(24)19-15-6-3-9-18-20-15/h1-6,9,12H,7-8,10-11H2,(H,22,23)(H,19,20,24)
InChIKeyIUBMHRWOPXXLSG-UHFFFAOYSA-N
XLogP2.59
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid 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

4-(4-phenylpyrimidin-2-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 46233705
4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 70877831
2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
CID 166237312
2-(1-hydroxypiperidin-4-yl)benzoic acid
CID 19784857
4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 127047499
9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide
CID 138998106
4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 70877834
2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 25138295
4-(4-phenyl-1,3-thiazol-2-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 68779561
2-[1-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl]piperidin-4-yl]benzoic acid
CID 136547999
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
2-[(3S)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95725546

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid?
The IUPAC name of 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid (CID 154746480) is 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid.
What is the SMILES notation for 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid?
The canonical SMILES for 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid is O=C(O)c1ccccc1C1CCN(C(=O)Nc2cccnn2)CC1.
What is the InChIKey of 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid?
The InChIKey is IUBMHRWOPXXLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(23)14-5-2-1-4-13(14)12-7-10-21(11-8-12)17(24)19-15-6-3-9-18-20-15/h1-6,9,12H,7-8,10-11H2,(H,22,23)(H,19,20,24).
What are the key properties of 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid?
2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid has a molecular weight of 326.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid is sourced from PubChem (CID 154746480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).