2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid

C17H22N2O2 — CID 106745309

IUPAC2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1[nH]c2ccccc2c1CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C17H22N2O2/c1-11-9-13(17(20)21)7-8-19(11)10-15-12(2)18-16-6-4-3-5-14(15)16/h3-6,11,13,18H,7-10H2,1-2H3,(H,20,21)
InChIKeyHRKPQOJPORQSDN-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid

2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 106745309) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid
PubChem CID106745309
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1[nH]c2ccccc2c1CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C17H22N2O2/c1-11-9-13(17(20)21)7-8-19(11)10-15-12(2)18-16-6-4-3-5-14(15)16/h3-6,11,13,18H,7-10H2,1-2H3,(H,20,21)
InChIKeyHRKPQOJPORQSDN-UHFFFAOYSA-N
XLogP3.16
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-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 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid (CID 106745309) is 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid is Cc1[nH]c2ccccc2c1CN1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is HRKPQOJPORQSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-9-13(17(20)21)7-8-19(11)10-15-12(2)18-16-6-4-3-5-14(15)16/h3-6,11,13,18H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid?
2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106745309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).