3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid

C18H21N3O3 — CID 124701383

IUPAC3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H21N3O3/c22-17(23)10-9-15-4-1-2-12-20(15)18(24)14-5-7-16(8-6-14)21-13-3-11-19-21/h3,5-8,11,13,15H,1-2,4,9-10,12H2,(H,22,23)/t15-/m1/s1
InChIKeyVMMSKFZXDBVVHO-OAHLLOKOSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds5

About 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid

3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid (PubChem CID 124701383) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
PubChem CID124701383
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H21N3O3/c22-17(23)10-9-15-4-1-2-12-20(15)18(24)14-5-7-16(8-6-14)21-13-3-11-19-21/h3,5-8,11,13,15H,1-2,4,9-10,12H2,(H,22,23)/t15-/m1/s1
InChIKeyVMMSKFZXDBVVHO-OAHLLOKOSA-N
XLogP2.73
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
CID 120536874
3-[(2R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124701425
3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
3-[(2S)-1-[4-[(carbamoylamino)methyl]benzoyl]piperidin-2-yl]propanoic acid
CID 125118220
3-[(2S)-1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidin-2-yl]propanoic acid
CID 125118118
3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid
CID 94373970
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid (CID 124701383) is 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid is O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid?
The InChIKey is VMMSKFZXDBVVHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(23)10-9-15-4-1-2-12-20(15)18(24)14-5-7-16(8-6-14)21-13-3-11-19-21/h3,5-8,11,13,15H,1-2,4,9-10,12H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid?
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124701383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).