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

C19H23N3O4 — CID 122109059

IUPAC3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN(C(=O)c2ccc(-n3cccn3)c(C)c2)C1
InChIInChI=1S/C19H23N3O4/c1-14-11-15(5-6-16(14)22-10-4-8-20-22)17(23)21-9-3-7-19(12-21,13-26-2)18(24)25/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3,(H,24,25)
InChIKeySTVOXXCPMJZBFE-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.13
Rot. Bonds5

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

3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 122109059) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
PubChem CID122109059
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN(C(=O)c2ccc(-n3cccn3)c(C)c2)C1
InChIInChI=1S/C19H23N3O4/c1-14-11-15(5-6-16(14)22-10-4-8-20-22)17(23)21-9-3-7-19(12-21,13-26-2)18(24)25/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3,(H,24,25)
InChIKeySTVOXXCPMJZBFE-UHFFFAOYSA-N
XLogP2.13
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-1-(3-methyl-4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 122108072
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
(3S)-3-(3-methoxypropyl)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 97137422
(3S)-3-(methoxymethyl)-1-(2-phenyltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 129468547
(3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid
CID 129468538
[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone
CID 129347528
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 122107177
(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-methyl-4-pyrazol-1-ylphenyl)methanone
CID 128861623
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
2-[4-methoxy-1-(3-methyl-4-pyrazol-1-ylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 122109331
4-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]oxane-4-carboxylic acid
CID 122109146
(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 129469474

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid (CID 122109059) is 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid is COCC1(C(=O)O)CCCN(C(=O)c2ccc(-n3cccn3)c(C)c2)C1.
What is the InChIKey of 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is STVOXXCPMJZBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14-11-15(5-6-16(14)22-10-4-8-20-22)17(23)21-9-3-7-19(12-21,13-26-2)18(24)25/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3,(H,24,25).
What are the key properties of 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122109059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).