2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid

C17H22N2O2 — CID 90686795

IUPAC2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(CCC3CCCCN3)cc2c1C(=O)O
InChIInChI=1S/C17H22N2O2/c1-11-16(17(20)21)14-10-12(6-8-15(14)19-11)5-7-13-4-2-3-9-18-13/h6,8,10,13,18-19H,2-5,7,9H2,1H3,(H,20,21)
InChIKeyVTEZGXYVRHIXRW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.25
Rot. Bonds4

About 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid

2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid (PubChem CID 90686795) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid
PubChem CID90686795
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(CCC3CCCCN3)cc2c1C(=O)O
InChIInChI=1S/C17H22N2O2/c1-11-16(17(20)21)14-10-12(6-8-15(14)19-11)5-7-13-4-2-3-9-18-13/h6,8,10,13,18-19H,2-5,7,9H2,1H3,(H,20,21)
InChIKeyVTEZGXYVRHIXRW-UHFFFAOYSA-N
XLogP3.25
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311889
5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311786
5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid
CID 22311939
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
CID 162399316
(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 96678991
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
CID 60869539
benzyl 5-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-2-methyl-1H-indole-3-carboxylate
CID 10274503
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azepane
CID 104703899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid (CID 90686795) is 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid is Cc1[nH]c2ccc(CCC3CCCCN3)cc2c1C(=O)O.
What is the InChIKey of 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid?
The InChIKey is VTEZGXYVRHIXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-16(17(20)21)14-10-12(6-8-15(14)19-11)5-7-13-4-2-3-9-18-13/h6,8,10,13,18-19H,2-5,7,9H2,1H3,(H,20,21).
What are the key properties of 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid?
2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 90686795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).