3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid

C15H23N3O3 — CID 81042767

IUPAC3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C(C)n2cccn2)C1
InChIInChI=1S/C15H23N3O3/c1-11(9-14(19)20)13-5-3-7-17(10-13)15(21)12(2)18-8-4-6-16-18/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,19,20)
InChIKeyBCWBMSFOYGKQLA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.79
Rot. Bonds5

About 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid

3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid (PubChem CID 81042767) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
PubChem CID81042767
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C(C)n2cccn2)C1
InChIInChI=1S/C15H23N3O3/c1-11(9-14(19)20)13-5-3-7-17(10-13)15(21)12(2)18-8-4-6-16-18/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,19,20)
InChIKeyBCWBMSFOYGKQLA-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119592942
1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119464816
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 112630605
1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120727627
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81046489
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 113268931
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81042260
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid (CID 81042767) is 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)C(C)n2cccn2)C1.
What is the InChIKey of 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid?
The InChIKey is BCWBMSFOYGKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(9-14(19)20)13-5-3-7-17(10-13)15(21)12(2)18-8-4-6-16-18/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid?
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81042767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).