1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid

C16H18N4O3 — CID 122090082

IUPAC1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C16H18N4O3/c21-15(22)11-5-8-20(9-6-11)16(23)18-13-3-1-2-12(10-13)14-4-7-17-19-14/h1-4,7,10-11H,5-6,8-9H2,(H,17,19)(H,18,23)(H,21,22)
InChIKeyVAXUYIGUWCAMQB-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.41
Rot. Bonds3

About 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122090082) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122090082
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C16H18N4O3/c21-15(22)11-5-8-20(9-6-11)16(23)18-13-3-1-2-12(10-13)14-4-7-17-19-14/h1-4,7,10-11H,5-6,8-9H2,(H,17,19)(H,18,23)(H,21,22)
InChIKeyVAXUYIGUWCAMQB-UHFFFAOYSA-N
XLogP2.41
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090086
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide
CID 118779122
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565
1-(dimethylsulfamoyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 72888802
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119707800
N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 138013343
1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46412516
1-[(3-iodophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55151371

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122090082) is 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1.
What is the InChIKey of 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is VAXUYIGUWCAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(22)11-5-8-20(9-6-11)16(23)18-13-3-1-2-12(10-13)14-4-7-17-19-14/h1-4,7,10-11H,5-6,8-9H2,(H,17,19)(H,18,23)(H,21,22).
What are the key properties of 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122090082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).