3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid

C16H20N2O2 — CID 124704455

IUPAC3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O2/c19-16(20)8-10-18-9-4-3-7-15(18)14-11-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,15,17H,3-4,7-10H2,(H,19,20)/t15-/m1/s1
InChIKeyLZFPIFHQOGARKJ-OAHLLOKOSA-N
MW272.35 g/mol
LogP3.17
Rot. Bonds4

About 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid

3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid (PubChem CID 124704455) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
PubChem CID124704455
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O2/c19-16(20)8-10-18-9-4-3-7-15(18)14-11-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,15,17H,3-4,7-10H2,(H,19,20)/t15-/m1/s1
InChIKeyLZFPIFHQOGARKJ-OAHLLOKOSA-N
XLogP3.17
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95322772
[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976743
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
2-[2-(1H-indol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 155961802
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
2-[2-(1H-indol-2-yl)piperidin-1-yl]-4-methylpyrimidine-5-carboxylic acid
CID 154868012
(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 124777878
N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide
CID 46209040

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid (CID 124704455) is 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1.
What is the InChIKey of 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid?
The InChIKey is LZFPIFHQOGARKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(20)8-10-18-9-4-3-7-15(18)14-11-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,15,17H,3-4,7-10H2,(H,19,20)/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid?
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 124704455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).