6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid

C18H21N3O3 — CID 122114234

IUPAC6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
SMILESCc1ccnn1-c1ccc(C(=O)N2CC(C(=O)O)CCC2C)cc1
InChIInChI=1S/C18H21N3O3/c1-12-3-4-15(18(23)24)11-20(12)17(22)14-5-7-16(8-6-14)21-13(2)9-10-19-21/h5-10,12,15H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyTVEFPVMACBRQOO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.51
Rot. Bonds3

About 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid

6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 122114234) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
PubChem CID122114234
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
SMILESCc1ccnn1-c1ccc(C(=O)N2CC(C(=O)O)CCC2C)cc1
InChIInChI=1S/C18H21N3O3/c1-12-3-4-15(18(23)24)11-20(12)17(22)14-5-7-16(8-6-14)21-13(2)9-10-19-21/h5-10,12,15H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyTVEFPVMACBRQOO-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

(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 46419890
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122112680
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
6-methyl-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-3-carboxylic acid
CID 122083736
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113497
6-methyl-1-(4-prop-2-enoxybenzoyl)piperidine-3-carboxylic acid
CID 122083617
methyl 1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate
CID 47010037
6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122113357

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid (CID 122114234) is 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid is Cc1ccnn1-c1ccc(C(=O)N2CC(C(=O)O)CCC2C)cc1.
What is the InChIKey of 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is TVEFPVMACBRQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-3-4-15(18(23)24)11-20(12)17(22)14-5-7-16(8-6-14)21-13(2)9-10-19-21/h5-10,12,15H,3-4,11H2,1-2H3,(H,23,24).
What are the key properties of 6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]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-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122114234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).