1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid

C17H22N2O2 — CID 67255296

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
SMILESCN1CCCCC1CCn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-18-10-5-4-6-13(18)9-11-19-12-15(17(20)21)14-7-2-3-8-16(14)19/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,20,21)
InChIKeyWXYAFZLAANJVFU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.21
Rot. Bonds4

About 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid

1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid (PubChem CID 67255296) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
PubChem CID67255296
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
SMILESCN1CCCCC1CCn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-18-10-5-4-6-13(18)9-11-19-12-15(17(20)21)14-7-2-3-8-16(14)19/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,20,21)
InChIKeyWXYAFZLAANJVFU-UHFFFAOYSA-N
XLogP3.21
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-iodophenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone
CID 11612272
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
CID 19891962
(4-bromonaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 11619558
1-[2-(1-methylpiperidin-2-yl)ethyl]indazole-3-carboxylic acid
CID 107912892
1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 10293794
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 170857353
2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone
CID 67255523
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 170857355
(4-methoxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 11690129
2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
CID 118218591
1-(2-ethylsulfonylethyl)indole-3-carboxylic acid
CID 43807959
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid (CID 67255296) is 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid is CN1CCCCC1CCn1cc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid?
The InChIKey is WXYAFZLAANJVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-10-5-4-6-13(18)9-11-19-12-15(17(20)21)14-7-2-3-8-16(14)19/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,20,21).
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid?
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid is sourced from PubChem (CID 67255296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).