4-(1H-indazol-5-yl)piperidine-3-carboxylic acid

C13H15N3O2 — CID 82385038

IUPAC4-(1H-indazol-5-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H15N3O2/c17-13(18)11-7-14-4-3-10(11)8-1-2-12-9(5-8)6-15-16-12/h1-2,5-6,10-11,14H,3-4,7H2,(H,15,16)(H,17,18)
InChIKeyZQFYSJSDGYRCMU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.34
Rot. Bonds2

About 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid

4-(1H-indazol-5-yl)piperidine-3-carboxylic acid (PubChem CID 82385038) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)piperidine-3-carboxylic acid
PubChem CID82385038
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(1H-indazol-5-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H15N3O2/c17-13(18)11-7-14-4-3-10(11)8-1-2-12-9(5-8)6-15-16-12/h1-2,5-6,10-11,14H,3-4,7H2,(H,15,16)(H,17,18)
InChIKeyZQFYSJSDGYRCMU-UHFFFAOYSA-N
XLogP1.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid?
The IUPAC name of 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid (CID 82385038) is 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid is O=C(O)C1CNCCC1c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid?
The InChIKey is ZQFYSJSDGYRCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)11-7-14-4-3-10(11)8-1-2-12-9(5-8)6-15-16-12/h1-2,5-6,10-11,14H,3-4,7H2,(H,15,16)(H,17,18).
What are the key properties of 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid?
4-(1H-indazol-5-yl)piperidine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 82385038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).