4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid

C13H19N3O4 — CID 56865281

IUPAC4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCCc1cn[nH]c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O4/c17-11(3-1-2-10-8-14-15-9-10)16-6-4-13(20,5-7-16)12(18)19/h8-9,20H,1-7H2,(H,14,15)(H,18,19)
InChIKeyBKZYOAWJMSZNRG-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.17
Rot. Bonds5

About 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid (PubChem CID 56865281) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid
PubChem CID56865281
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCCc1cn[nH]c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O4/c17-11(3-1-2-10-8-14-15-9-10)16-6-4-13(20,5-7-16)12(18)19/h8-9,20H,1-7H2,(H,14,15)(H,18,19)
InChIKeyBKZYOAWJMSZNRG-UHFFFAOYSA-N
XLogP0.17
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid (CID 56865281) is 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid is O=C(CCCc1cn[nH]c1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is BKZYOAWJMSZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-11(3-1-2-10-8-14-15-9-10)16-6-4-13(20,5-7-16)12(18)19/h8-9,20H,1-7H2,(H,14,15)(H,18,19).
What are the key properties of 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56865281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).