6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid

C15H19N3O2 — CID 115930088

IUPAC6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCn1nc(CC2CCCC(C(=O)O)N2)c2ccccc21
InChIInChI=1S/C15H19N3O2/c1-18-14-8-3-2-6-11(14)13(17-18)9-10-5-4-7-12(16-10)15(19)20/h2-3,6,8,10,12,16H,4-5,7,9H2,1H3,(H,19,20)
InChIKeyBKKWLCNTPAUKJO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.71
Rot. Bonds3

About 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid

6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 115930088) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid
PubChem CID115930088
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCn1nc(CC2CCCC(C(=O)O)N2)c2ccccc21
InChIInChI=1S/C15H19N3O2/c1-18-14-8-3-2-6-11(14)13(17-18)9-10-5-4-7-12(16-10)15(19)20/h2-3,6,8,10,12,16H,4-5,7,9H2,1H3,(H,19,20)
InChIKeyBKKWLCNTPAUKJO-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid (CID 115930088) is 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid is Cn1nc(CC2CCCC(C(=O)O)N2)c2ccccc21.
What is the InChIKey of 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is BKKWLCNTPAUKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-14-8-3-2-6-11(14)13(17-18)9-10-5-4-7-12(16-10)15(19)20/h2-3,6,8,10,12,16H,4-5,7,9H2,1H3,(H,19,20).
What are the key properties of 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid?
6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 115930088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).