(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid

C16H17N3O3 — CID 124576728

IUPAC(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C16H17N3O3/c20-15(18-8-2-5-13(11-18)16(21)22)12-4-1-6-14(10-12)19-9-3-7-17-19/h1,3-4,6-7,9-10,13H,2,5,8,11H2,(H,21,22)/t13-/m1/s1
InChIKeyHJMFNGDJIAUFFS-CYBMUJFWSA-N
MW299.33 g/mol
LogP1.81
Rot. Bonds3

About (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid

(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 124576728) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
PubChem CID124576728
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C16H17N3O3/c20-15(18-8-2-5-13(11-18)16(21)22)12-4-1-6-14(10-12)19-9-3-7-17-19/h1,3-4,6-7,9-10,13H,2,5,8,11H2,(H,21,22)/t13-/m1/s1
InChIKeyHJMFNGDJIAUFFS-CYBMUJFWSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126454332
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96578119
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122268198

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid (CID 124576728) is (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1.
What is the InChIKey of (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is HJMFNGDJIAUFFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(18-8-2-5-13(11-18)16(21)22)12-4-1-6-14(10-12)19-9-3-7-17-19/h1,3-4,6-7,9-10,13H,2,5,8,11H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 124576728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).