6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid

C18H21N3O3 — CID 122112680

IUPAC6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)ccc1-n1cccn1
InChIInChI=1S/C18H21N3O3/c1-12-10-14(6-7-16(12)21-9-3-8-19-21)17(22)20-11-15(18(23)24)5-4-13(20)2/h3,6-10,13,15H,4-5,11H2,1-2H3,(H,23,24)
InChIKeyGSTAOZASWGQICR-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.51
Rot. Bonds3

About 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid

6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 122112680) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
PubChem CID122112680
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)ccc1-n1cccn1
InChIInChI=1S/C18H21N3O3/c1-12-10-14(6-7-16(12)21-9-3-8-19-21)17(22)20-11-15(18(23)24)5-4-13(20)2/h3,6-10,13,15H,4-5,11H2,1-2H3,(H,23,24)
InChIKeyGSTAOZASWGQICR-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 122107177
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
2-[4-methoxy-1-(3-methyl-4-pyrazol-1-ylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 122109331
6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 122114234
1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122108313
(3S,6R)-1-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 166317624
1-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113643
1-[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113823
6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122113357
1-[3-(cyanomethyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113089
1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122114271

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid (CID 122112680) is 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)CCC2C)ccc1-n1cccn1.
What is the InChIKey of 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is GSTAOZASWGQICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-10-14(6-7-16(12)21-9-3-8-19-21)17(22)20-11-15(18(23)24)5-4-13(20)2/h3,6-10,13,15H,4-5,11H2,1-2H3,(H,23,24).
What are the key properties of 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122112680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).