2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid

C17H22N2O2 — CID 28783033

IUPAC2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CCN2CCCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c20-17(21)12-14-13-19(16-7-3-2-6-15(14)16)11-10-18-8-4-1-5-9-18/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,21)
InChIKeyAVNAPYGSRPILIV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.75
Rot. Bonds5

About 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid

2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid (PubChem CID 28783033) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
PubChem CID28783033
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CCN2CCCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c20-17(21)12-14-13-19(16-7-3-2-6-15(14)16)11-10-18-8-4-1-5-9-18/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,21)
InChIKeyAVNAPYGSRPILIV-UHFFFAOYSA-N
XLogP2.75
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986
2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
CID 118726280
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
2-(1-but-3-ynylindol-3-yl)acetic acid
CID 63655086
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698
3-[3-[2-oxo-2-(2-piperidin-1-ylethylamino)acetyl]indol-1-yl]propanoic acid
CID 66739470
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537904
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
2-[1-(3-cyanopropyl)indol-3-yl]acetic acid
CID 28599811

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid (CID 28783033) is 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid is O=C(O)Cc1cn(CCN2CCCCC2)c2ccccc12.
What is the InChIKey of 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid?
The InChIKey is AVNAPYGSRPILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17(21)12-14-13-19(16-7-3-2-6-15(14)16)11-10-18-8-4-1-5-9-18/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,21).
What are the key properties of 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid?
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid has a molecular weight of 286.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid is sourced from PubChem (CID 28783033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).