3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid

C19H24N2O3 — CID 124697845

IUPAC3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
SMILESCn1cc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-20-13-15(16-6-2-3-7-17(16)20)11-18(22)21-10-4-5-14(12-21)8-9-19(23)24/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyKLEWKPSXMZVMCM-CQSZACIVSA-N
MW328.41 g/mol
LogP2.82
Rot. Bonds5

About 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid

3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid (PubChem CID 124697845) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
PubChem CID124697845
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
SMILESCn1cc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-20-13-15(16-6-2-3-7-17(16)20)11-18(22)21-10-4-5-14(12-21)8-9-19(23)24/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyKLEWKPSXMZVMCM-CQSZACIVSA-N
XLogP2.82
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252996
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
3-[(3R)-1-[(3S)-3-(2-bromophenyl)butanoyl]piperidin-3-yl]propanoic acid
CID 97338913
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122267952
3-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124686051
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid (CID 124697845) is 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid is Cn1cc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)c2ccccc21.
What is the InChIKey of 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid?
The InChIKey is KLEWKPSXMZVMCM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-13-15(16-6-2-3-7-17(16)20)11-18(22)21-10-4-5-14(12-21)8-9-19(23)24/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124697845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).