3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid

C18H24N4O3 — CID 66715751

IUPAC3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)C(=O)n1ncc2cc(NC3CCCN(C(=O)O)C3)ccc21
InChIInChI=1S/C18H24N4O3/c1-18(2,3)16(23)22-15-7-6-13(9-12(15)10-19-22)20-14-5-4-8-21(11-14)17(24)25/h6-7,9-10,14,20H,4-5,8,11H2,1-3H3,(H,24,25)
InChIKeyMIEXRCIWLPPLNA-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.28
Rot. Bonds2

About 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid

3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid (PubChem CID 66715751) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid
PubChem CID66715751
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)C(=O)n1ncc2cc(NC3CCCN(C(=O)O)C3)ccc21
InChIInChI=1S/C18H24N4O3/c1-18(2,3)16(23)22-15-7-6-13(9-12(15)10-19-22)20-14-5-4-8-21(11-14)17(24)25/h6-7,9-10,14,20H,4-5,8,11H2,1-3H3,(H,24,25)
InChIKeyMIEXRCIWLPPLNA-UHFFFAOYSA-N
XLogP3.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid (CID 66715751) is 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid is CC(C)(C)C(=O)n1ncc2cc(NC3CCCN(C(=O)O)C3)ccc21.
What is the InChIKey of 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is MIEXRCIWLPPLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)16(23)22-15-7-6-13(9-12(15)10-19-22)20-14-5-4-8-21(11-14)17(24)25/h6-7,9-10,14,20H,4-5,8,11H2,1-3H3,(H,24,25).
What are the key properties of 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid?
3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2-dimethylpropanoyl)indazol-5-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 66715751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).