4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid

C16H17N3O4 — CID 56871973

IUPAC4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccccc1-n1cccn1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H17N3O4/c20-14(18-10-6-16(23,7-11-18)15(21)22)12-4-1-2-5-13(12)19-9-3-8-17-19/h1-5,8-9,23H,6-7,10-11H2,(H,21,22)
InChIKeyVVXFUQCFEDYEAB-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.92
Rot. Bonds3

About 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid

4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid (PubChem CID 56871973) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid
PubChem CID56871973
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccccc1-n1cccn1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H17N3O4/c20-14(18-10-6-16(23,7-11-18)15(21)22)12-4-1-2-5-13(12)19-9-3-8-17-19/h1-5,8-9,23H,6-7,10-11H2,(H,21,22)
InChIKeyVVXFUQCFEDYEAB-UHFFFAOYSA-N
XLogP0.92
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78889228
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 110022944
[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137339403
1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251590
4-hydroxy-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 119250921
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 72847006
1-(3-bromo-2-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250906
4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
CID 119251922
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528096
[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137338007

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid (CID 56871973) is 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid is O=C(c1ccccc1-n1cccn1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid?
The InChIKey is VVXFUQCFEDYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-14(18-10-6-16(23,7-11-18)15(21)22)12-4-1-2-5-13(12)19-9-3-8-17-19/h1-5,8-9,23H,6-7,10-11H2,(H,21,22).
What are the key properties of 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56871973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).