3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid

C19H27N3O3 — CID 126522706

IUPAC3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CC(N)C(C(C)(C)C)N(C(=O)O)C3)c2c1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)17-15(20)7-11(10-22(17)18(23)24)14-9-21-16-6-5-12(25-4)8-13(14)16/h5-6,8-9,11,15,17,21H,7,10,20H2,1-4H3,(H,23,24)
InChIKeyYIQGVTGUOCLRTM-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.39
Rot. Bonds2

About 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid

3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid (PubChem CID 126522706) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid
PubChem CID126522706
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CC(N)C(C(C)(C)C)N(C(=O)O)C3)c2c1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)17-15(20)7-11(10-22(17)18(23)24)14-9-21-16-6-5-12(25-4)8-13(14)16/h5-6,8-9,11,15,17,21H,7,10,20H2,1-4H3,(H,23,24)
InChIKeyYIQGVTGUOCLRTM-UHFFFAOYSA-N
XLogP3.39
TPSA91.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid (CID 126522706) is 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid is COc1ccc2[nH]cc(C3CC(N)C(C(C)(C)C)N(C(=O)O)C3)c2c1.
What is the InChIKey of 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is YIQGVTGUOCLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2,3)17-15(20)7-11(10-22(17)18(23)24)14-9-21-16-6-5-12(25-4)8-13(14)16/h5-6,8-9,11,15,17,21H,7,10,20H2,1-4H3,(H,23,24).
What are the key properties of 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid?
3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 126522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).